# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mm469_5
_database_code_depnum_ccdc_archive 'CCDC 1454168'
_audit_update_record             
;
2016-02-18 deposited with the CCDC.
2016-08-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C31 H79 Gd2 K N4 Si8'
_chemical_formula_weight         1086.30

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.1700(7)
_cell_length_b                   14.2848(7)
_cell_length_c                   25.4039(12)
_cell_angle_alpha                90
_cell_angle_beta                 95.518(2)
_cell_angle_gamma                90
_cell_volume                     5118.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9831
_cell_measurement_theta_min      2.68
_cell_measurement_theta_max      30.42

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      n/a
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_F_000             2208
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.203
_exptl_crystal_size_min          0.139
_exptl_absorpt_coefficient_mu    2.861
_shelx_estimated_absorpt_T_min   0.491
_shelx_estimated_absorpt_T_max   0.692
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.531793
_exptl_absorpt_correction_T_max  0.746071
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25502
_diffrn_reflns_av_unetI/netI     0.0345
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         1.584
_diffrn_reflns_theta_max         30.595
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             15195
_reflns_number_gt                12026
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'APEX II, Bruker (2009)'
_computing_cell_refinement       'APEX II, Bruker (2009)'
_computing_data_reduction        'XPREP, Bruker (2009)'
_computing_structure_solution    'SHELXS-03 (Sheldrick, 2003)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXTL, Bruker (2004)'
_computing_publication_material  'SHELXTL, Bruker (2004)'
_refine_special_details          
; 
 Refined as a 2-component twin. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0214P)²+6.7851P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15195
_refine_ls_number_parameters     416
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0330
_refine_ls_wR_factor_ref         0.0725
_refine_ls_wR_factor_gt          0.0626
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.16979(2) 0.23108(2) 1.06849(2) 0.02648(4) Uani 1 1 d . . . . .
Gd2 Gd 0.30382(2) 0.22414(2) 0.93310(2) 0.02469(4) Uani 1 1 d . . . . .
K1 K 0.43854(7) 0.21446(7) 0.80608(3) 0.0518(2) Uani 1 1 d . . . . .
Si1 Si 0.31754(8) 0.20814(9) 1.19683(4) 0.0429(3) Uani 1 1 d . . . . .
Si2 Si 0.17731(9) 0.06539(7) 1.15634(4) 0.0431(3) Uani 1 1 d . . . . .
Si3 Si 0.04886(7) 0.38973(7) 1.13030(4) 0.0323(2) Uani 1 1 d . . . . .
Si4 Si -0.08192(7) 0.28897(8) 1.05207(4) 0.0401(2) Uani 1 1 d . . . . .
Si5 Si 0.54484(7) 0.25047(7) 0.93436(4) 0.0351(2) Uani 1 1 d . . . . .
Si6 Si 0.44491(7) 0.42083(7) 0.89335(4) 0.0317(2) Uani 1 1 d . . . . .
Si7 Si 0.29215(8) 0.01744(7) 0.84729(4) 0.0382(2) Uani 1 1 d . . . . .
Si8 Si 0.18974(8) 0.19020(8) 0.81076(4) 0.0371(2) Uani 1 1 d . . . . .
N1 N 0.2310(2) 0.1709(2) 1.14976(11) 0.0325(6) Uani 1 1 d . . . . .
N2 N 0.0295(2) 0.3057(2) 1.08328(11) 0.0315(6) Uani 1 1 d . . . . .
N3 N 0.44160(19) 0.30399(19) 0.91018(10) 0.0262(5) Uani 1 1 d . . . . .
N4 N 0.2731(2) 0.13514(19) 0.85356(10) 0.0296(6) Uani 1 1 d . . . . .
C1 C 0.3327(3) 0.2654(4) 1.03296(15) 0.0555(13) Uani 1 1 d . . . . .
H1A H 0.3869 0.2879 1.0541 0.067 Uiso 1 1 calc R U . . .
C2 C 0.3260(3) 0.1687(4) 1.02838(16) 0.0594(14) Uani 1 1 d . . . . .
H2A H 0.3802 0.1345 1.0423 0.071 Uiso 1 1 calc R U . . .
C3 C 0.2503(4) 0.1154(3) 1.00601(16) 0.0559(14) Uani 1 1 d . . . . .
H3A H 0.2569 0.0496 1.0102 0.067 Uiso 1 1 calc R U . . .
C4 C 0.1641(4) 0.1460(4) 0.97771(16) 0.0580(14) Uani 1 1 d . . . . .
H4A H 0.1194 0.0986 0.9669 0.070 Uiso 1 1 calc R U . . .
C5 C 0.1374(3) 0.2400(4) 0.96377(15) 0.0574(14) Uani 1 1 d . . . . .
H5A H 0.0801 0.2472 0.9414 0.069 Uiso 1 1 calc R U . . .
C6 C 0.1861(4) 0.3238(3) 0.97929(17) 0.0547(13) Uani 1 1 d . . . . .
H6A H 0.1569 0.3802 0.9664 0.066 Uiso 1 1 calc R U . . .
C7 C 0.2715(4) 0.3341(3) 1.01111(16) 0.0519(12) Uani 1 1 d . . . . .
H7A H 0.2904 0.3968 1.0189 0.062 Uiso 1 1 calc R U . . .
C8 C 0.4096(3) 0.2818(4) 1.16913(19) 0.0687(15) Uani 1 1 d . . . . .
H8A H 0.4570 0.3010 1.1977 0.103 Uiso 1 1 calc R U . . .
H8B H 0.4405 0.2455 1.1429 0.103 Uiso 1 1 calc R U . . .
H8C H 0.3797 0.3374 1.1523 0.103 Uiso 1 1 calc R U . . .
C9 C 0.3850(4) 0.1105(5) 1.2332(2) 0.089(2) Uani 1 1 d . . . . .
H9A H 0.4330 0.1369 1.2593 0.133 Uiso 1 1 calc R U . . .
H9B H 0.3410 0.0716 1.2512 0.133 Uiso 1 1 calc R U . . .
H9C H 0.4160 0.0720 1.2080 0.133 Uiso 1 1 calc R U . . .
C10 C 0.2700(4) 0.2779(4) 1.25084(18) 0.0679(14) Uani 1 1 d . . . . .
H10A H 0.3225 0.2973 1.2765 0.102 Uiso 1 1 calc R U . . .
H10B H 0.2373 0.3336 1.2357 0.102 Uiso 1 1 calc R U . . .
H10C H 0.2254 0.2395 1.2686 0.102 Uiso 1 1 calc R U . . .
C11 C 0.1287(4) 0.0487(3) 1.22136(16) 0.0567(12) Uani 1 1 d . . . . .
H11A H 0.0990 -0.0132 1.2223 0.085 Uiso 1 1 calc R U . . .
H11B H 0.1802 0.0533 1.2499 0.085 Uiso 1 1 calc R U . . .
H11C H 0.0813 0.0972 1.2261 0.085 Uiso 1 1 calc R U . . .
C12 C 0.2530(5) -0.0376(3) 1.1437(2) 0.088(2) Uani 1 1 d . . . . .
H12A H 0.2174 -0.0954 1.1482 0.132 Uiso 1 1 calc R U . . .
H12B H 0.2712 -0.0345 1.1075 0.132 Uiso 1 1 calc R U . . .
H12C H 0.3101 -0.0370 1.1687 0.132 Uiso 1 1 calc R U . . .
C13 C 0.0726(4) 0.0555(3) 1.10546(17) 0.0604(13) Uani 1 1 d . . . . .
H13A H 0.0415 -0.0051 1.1091 0.091 Uiso 1 1 calc R U . . .
H13B H 0.0276 0.1060 1.1107 0.091 Uiso 1 1 calc R U . . .
H13C H 0.0940 0.0605 1.0700 0.091 Uiso 1 1 calc R U . . .
C14 C 0.0233(3) 0.3471(3) 1.19770(14) 0.0448(9) Uani 1 1 d . . . . .
H14A H 0.0354 0.3977 1.2235 0.067 Uiso 1 1 calc R U . . .
H14B H -0.0432 0.3277 1.1966 0.067 Uiso 1 1 calc R U . . .
H14C H 0.0644 0.2937 1.2080 0.067 Uiso 1 1 calc R U . . .
C15 C -0.0207(3) 0.5010(3) 1.11967(19) 0.0550(11) Uani 1 1 d . . . . .
H15A H -0.0037 0.5440 1.1492 0.082 Uiso 1 1 calc R U . . .
H15B H -0.0060 0.5303 1.0865 0.082 Uiso 1 1 calc R U . . .
H15C H -0.0886 0.4870 1.1178 0.082 Uiso 1 1 calc R U . . .
C16 C 0.1755(3) 0.4279(3) 1.13360(16) 0.0422(9) Uani 1 1 d . . . . .
H16A H 0.1872 0.4764 1.1607 0.063 Uiso 1 1 calc R U . . .
H16B H 0.2170 0.3741 1.1426 0.063 Uiso 1 1 calc R U . . .
H16C H 0.1889 0.4530 1.0992 0.063 Uiso 1 1 calc R U . . .
C17 C -0.1172(4) 0.3820(4) 1.0020(2) 0.0799(18) Uani 1 1 d . . . . .
H17A H -0.1812 0.3691 0.9854 0.120 Uiso 1 1 calc R U . . .
H17B H -0.1163 0.4432 1.0195 0.120 Uiso 1 1 calc R U . . .
H17C H -0.0724 0.3824 0.9749 0.120 Uiso 1 1 calc R U . . .
C18 C -0.1737(3) 0.2857(3) 1.10030(17) 0.0491(10) Uani 1 1 d . . . . .
H18A H -0.2364 0.2761 1.0812 0.074 Uiso 1 1 calc R U . . .
H18B H -0.1597 0.2343 1.1253 0.074 Uiso 1 1 calc R U . . .
H18C H -0.1731 0.3451 1.1196 0.074 Uiso 1 1 calc R U . . .
C19 C -0.0963(3) 0.1758(4) 1.0149(2) 0.0725(16) Uani 1 1 d . . . . .
H19A H -0.1614 0.1709 0.9982 0.109 Uiso 1 1 calc R U . . .
H19B H -0.0519 0.1739 0.9877 0.109 Uiso 1 1 calc R U . . .
H19C H -0.0833 0.1235 1.0395 0.109 Uiso 1 1 calc R U . . .
C20 C 0.5237(3) 0.1210(3) 0.94016(18) 0.0492(10) Uani 1 1 d . . . . .
H20A H 0.5827 0.0901 0.9540 0.074 Uiso 1 1 calc R U . . .
H20B H 0.4748 0.1100 0.9643 0.074 Uiso 1 1 calc R U . . .
H20C H 0.5025 0.0954 0.9052 0.074 Uiso 1 1 calc R U . . .
C21 C 0.6421(3) 0.2627(3) 0.8893(2) 0.0602(13) Uani 1 1 d . . . . .
H21A H 0.6993 0.2309 0.9050 0.090 Uiso 1 1 calc R U . . .
H21B H 0.6217 0.2343 0.8549 0.090 Uiso 1 1 calc R U . . .
H21C H 0.6559 0.3292 0.8844 0.090 Uiso 1 1 calc R U . . .
C22 C 0.5943(3) 0.2876(3) 1.00175(19) 0.0572(12) Uani 1 1 d . . . . .
H22A H 0.6530 0.2531 1.0119 0.086 Uiso 1 1 calc R U . . .
H22B H 0.6077 0.3549 1.0017 0.086 Uiso 1 1 calc R U . . .
H22C H 0.5481 0.2743 1.0271 0.086 Uiso 1 1 calc R U . . .
C23 C 0.4579(4) 0.4354(3) 0.82062(15) 0.0556(12) Uani 1 1 d . . . . .
H23A H 0.4596 0.5022 0.8120 0.083 Uiso 1 1 calc R U . . .
H23B H 0.5169 0.4056 0.8121 0.083 Uiso 1 1 calc R U . . .
H23C H 0.4040 0.4059 0.7999 0.083 Uiso 1 1 calc R U . . .
C24 C 0.5464(3) 0.4891(3) 0.92675(17) 0.0482(10) Uani 1 1 d . . . . .
H24A H 0.5422 0.5543 0.9147 0.072 Uiso 1 1 calc R U . . .
H24B H 0.5438 0.4870 0.9651 0.072 Uiso 1 1 calc R U . . .
H24C H 0.6063 0.4619 0.9179 0.072 Uiso 1 1 calc R U . . .
C25 C 0.3373(3) 0.4880(3) 0.90712(17) 0.0456(9) Uani 1 1 d . . . . .
H25A H 0.3443 0.5535 0.8966 0.068 Uiso 1 1 calc R U . . .
H25B H 0.2814 0.4609 0.8870 0.068 Uiso 1 1 calc R U . . .
H25C H 0.3295 0.4851 0.9450 0.068 Uiso 1 1 calc R U . . .
C26 C 0.3253(3) -0.0447(3) 0.91103(17) 0.0511(10) Uani 1 1 d . . . . .
H26A H 0.3349 -0.1114 0.9041 0.077 Uiso 1 1 calc R U . . .
H26B H 0.3841 -0.0180 0.9282 0.077 Uiso 1 1 calc R U . . .
H26C H 0.2744 -0.0375 0.9342 0.077 Uiso 1 1 calc R U . . .
C27 C 0.1887(4) -0.0499(3) 0.81570(19) 0.0662(14) Uani 1 1 d . . . . .
H27A H 0.2057 -0.1162 0.8137 0.099 Uiso 1 1 calc R U . . .
H27B H 0.1348 -0.0430 0.8369 0.099 Uiso 1 1 calc R U . . .
H27C H 0.1713 -0.0257 0.7800 0.099 Uiso 1 1 calc R U . . .
C28 C 0.3918(4) -0.0068(3) 0.8053(2) 0.0737(17) Uani 1 1 d . . . . .
H28A H 0.4009 -0.0745 0.8025 0.111 Uiso 1 1 calc R U . . .
H28B H 0.3762 0.0197 0.7699 0.111 Uiso 1 1 calc R U . . .
H28C H 0.4503 0.0220 0.8216 0.111 Uiso 1 1 calc R U . . .
C29 C 0.2109(4) 0.1770(4) 0.73939(15) 0.0600(13) Uani 1 1 d . . . . .
H29A H 0.1610 0.2099 0.7173 0.090 Uiso 1 1 calc R U . . .
H29B H 0.2727 0.2038 0.7336 0.090 Uiso 1 1 calc R U . . .
H29C H 0.2099 0.1105 0.7300 0.090 Uiso 1 1 calc R U . . .
C30 C 0.0640(3) 0.1563(4) 0.81726(19) 0.0605(13) Uani 1 1 d . . . . .
H30A H 0.0219 0.1912 0.7914 0.091 Uiso 1 1 calc R U . . .
H30B H 0.0561 0.0890 0.8108 0.091 Uiso 1 1 calc R U . . .
H30C H 0.0480 0.1710 0.8530 0.091 Uiso 1 1 calc R U . . .
C31 C 0.1949(3) 0.3195(3) 0.82384(16) 0.0458(9) Uani 1 1 d . . . . .
H31A H 0.1474 0.3514 0.7995 0.069 Uiso 1 1 calc R U . . .
H31B H 0.1817 0.3316 0.8604 0.069 Uiso 1 1 calc R U . . .
H31C H 0.2582 0.3431 0.8184 0.069 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Gd1 N2 2.318(3) . ?
Gd1 N1 2.326(3) . ?
Gd1 C4 2.601(4) . ?
Gd1 C7 2.602(4) . ?
Gd1 C1 2.605(4) . ?
Gd1 C3 2.626(4) . ?
Gd1 C6 2.654(4) . ?
Gd1 C5 2.659(4) . ?
Gd1 C2 2.677(4) . ?
Gd1 C13 3.052(4) . ?
Gd1 Si2 3.2477(10) . ?
Gd1 Si3 3.3251(10) . ?
Gd2 N3 2.381(3) . ?
Gd2 N4 2.391(3) . ?
Gd2 C2 2.537(4) . ?
Gd2 C6 2.561(4) . ?
Gd2 C5 2.564(4) . ?
Gd2 C3 2.586(4) . ?
Gd2 C1 2.598(4) . ?
Gd2 C7 2.603(4) . ?
Gd2 C4 2.623(4) . ?
Gd2 Si8 3.3971(10) . ?
Gd2 Si5 3.4330(11) . ?
Gd2 K1 3.9064(8) . ?
K1 N3 2.934(3) . ?
K1 N4 2.962(3) . ?
K1 C23 3.186(5) . ?
K1 C28 3.228(5) . ?
K1 C14 3.230(4) 4_665 ?
K1 C21 3.477(6) . ?
K1 Si5 3.4942(15) . ?
K1 C29 3.538(5) . ?
K1 Si8 3.5558(15) . ?
K1 Si6 3.6844(13) . ?
K1 Si7 3.7065(14) . ?
Si1 N1 1.713(3) . ?
Si1 C8 1.865(5) . ?
Si1 C10 1.873(5) . ?
Si1 C9 1.883(5) . ?
Si2 N1 1.703(3) . ?
Si2 C11 1.865(4) . ?
Si2 C12 1.866(5) . ?
Si2 C13 1.877(5) . ?
Si3 N2 1.697(3) . ?
Si3 C16 1.870(4) . ?
Si3 C15 1.876(4) . ?
Si3 C14 1.885(4) . ?
Si4 N2 1.715(3) . ?
Si4 C18 1.871(4) . ?
Si4 C19 1.873(5) . ?
Si4 C17 1.874(5) . ?
Si5 N3 1.711(3) . ?
Si5 C22 1.863(5) . ?
Si5 C20 1.882(4) . ?
Si5 C21 1.883(5) . ?
Si6 N3 1.725(3) . ?
Si6 C25 1.864(4) . ?
Si6 C24 1.872(4) . ?
Si6 C23 1.886(4) . ?
Si7 N4 1.713(3) . ?
Si7 C26 1.867(4) . ?
Si7 C27 1.869(4) . ?
Si7 C28 1.883(5) . ?
Si8 N4 1.718(3) . ?
Si8 C30 1.869(4) . ?
Si8 C29 1.875(4) . ?
Si8 C31 1.877(4) . ?
C1 C2 1.389(7) . ?
C1 C7 1.389(7) . ?
C2 C3 1.392(7) . ?
C3 C4 1.424(7) . ?
C4 C5 1.430(7) . ?
C5 C6 1.418(7) . ?
C6 C7 1.397(7) . ?
C14 K1 3.230(4) 4_566 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Gd1 N1 106.19(10) . . ?
N2 Gd1 C4 113.88(15) . . ?
N1 Gd1 C4 126.24(15) . . ?
N2 Gd1 C7 111.12(14) . . ?
N1 Gd1 C7 121.80(14) . . ?
C4 Gd1 C7 74.87(12) . . ?
N2 Gd1 C1 140.51(15) . . ?
N1 Gd1 C1 96.32(13) . . ?
C4 Gd1 C1 74.54(13) . . ?
C7 Gd1 C1 30.93(15) . . ?
N2 Gd1 C3 144.72(15) . . ?
N1 Gd1 C3 99.05(12) . . ?
C4 Gd1 C3 31.61(16) . . ?
C7 Gd1 C3 73.79(12) . . ?
C1 Gd1 C3 57.20(15) . . ?
N2 Gd1 C6 93.17(11) . . ?
N1 Gd1 C6 152.46(14) . . ?
C4 Gd1 C6 58.25(15) . . ?
C7 Gd1 C6 30.80(15) . . ?
C1 Gd1 C6 57.12(15) . . ?
C3 Gd1 C6 73.68(12) . . ?
N2 Gd1 C5 94.12(11) . . ?
N1 Gd1 C5 156.87(13) . . ?
C4 Gd1 C5 31.54(15) . . ?
C7 Gd1 C5 57.59(15) . . ?
C1 Gd1 C5 73.60(12) . . ?
C3 Gd1 C5 57.90(14) . . ?
C6 Gd1 C5 30.97(15) . . ?
N2 Gd1 C2 165.50(11) . . ?
N1 Gd1 C2 87.90(11) . . ?
C4 Gd1 C2 57.53(16) . . ?
C7 Gd1 C2 56.77(16) . . ?
C1 Gd1 C2 30.45(16) . . ?
C3 Gd1 C2 30.42(16) . . ?
C6 Gd1 C2 72.40(13) . . ?
C5 Gd1 C2 72.82(12) . . ?
N2 Gd1 C13 84.78(12) . . ?
N1 Gd1 C13 64.14(12) . . ?
C4 Gd1 C13 84.98(12) . . ?
C7 Gd1 C13 158.05(12) . . ?
C1 Gd1 C13 134.63(16) . . ?
C3 Gd1 C13 84.50(13) . . ?
C6 Gd1 C13 138.73(15) . . ?
C5 Gd1 C13 107.92(15) . . ?
C2 Gd1 C13 104.94(16) . . ?
N2 Gd1 Si2 101.30(7) . . ?
N1 Gd1 Si2 30.21(8) . . ?
C4 Gd1 Si2 105.36(12) . . ?
C7 Gd1 Si2 144.45(13) . . ?
C1 Gd1 Si2 113.82(12) . . ?
C3 Gd1 Si2 88.25(8) . . ?
C6 Gd1 Si2 161.91(9) . . ?
C5 Gd1 Si2 135.53(13) . . ?
C2 Gd1 Si2 92.61(10) . . ?
C13 Gd1 Si2 34.49(9) . . ?
N2 Gd1 Si3 28.47(7) . . ?
N1 Gd1 Si3 89.89(7) . . ?
C4 Gd1 Si3 139.80(14) . . ?
C7 Gd1 Si3 102.57(10) . . ?
C1 Gd1 Si3 123.32(12) . . ?
C3 Gd1 Si3 170.97(11) . . ?
C6 Gd1 Si3 98.88(9) . . ?
C5 Gd1 Si3 113.12(11) . . ?
C2 Gd1 Si3 152.76(14) . . ?
C13 Gd1 Si3 98.43(10) . . ?
Si2 Gd1 Si3 99.01(3) . . ?
N3 Gd2 N4 97.75(9) . . ?
N3 Gd2 C2 110.69(14) . . ?
N4 Gd2 C2 129.49(16) . . ?
N3 Gd2 C6 115.54(14) . . ?
N4 Gd2 C6 127.52(15) . . ?
C2 Gd2 C6 76.27(13) . . ?
N3 Gd2 C5 146.27(15) . . ?
N4 Gd2 C5 101.89(13) . . ?
C2 Gd2 C5 76.75(13) . . ?
C6 Gd2 C5 32.13(16) . . ?
N3 Gd2 C3 140.06(15) . . ?
N4 Gd2 C3 104.12(12) . . ?
C2 Gd2 C3 31.51(16) . . ?
C6 Gd2 C3 75.91(12) . . ?
C5 Gd2 C3 59.57(16) . . ?
N3 Gd2 C1 94.26(11) . . ?
N4 Gd2 C1 160.79(14) . . ?
C2 Gd2 C1 31.34(16) . . ?
C6 Gd2 C1 58.32(16) . . ?
C5 Gd2 C1 75.30(13) . . ?
C3 Gd2 C1 57.75(15) . . ?
N3 Gd2 C7 96.05(11) . . ?
N4 Gd2 C7 158.89(14) . . ?
C2 Gd2 C7 58.44(16) . . ?
C6 Gd2 C7 31.37(15) . . ?
C5 Gd2 C7 58.75(15) . . ?
C3 Gd2 C7 74.44(12) . . ?
C1 Gd2 C7 30.96(15) . . ?
N3 Gd2 C4 168.53(11) . . ?
N4 Gd2 C4 93.17(10) . . ?
C2 Gd2 C4 58.97(17) . . ?
C6 Gd2 C4 59.13(16) . . ?
C5 Gd2 C4 31.99(16) . . ?
C3 Gd2 C4 31.72(16) . . ?
C1 Gd2 C4 74.29(13) . . ?
C7 Gd2 C4 74.49(12) . . ?
N3 Gd2 Si8 100.02(7) . . ?
N4 Gd2 Si8 28.28(7) . . ?
C2 Gd2 Si8 146.37(15) . . ?
C6 Gd2 Si8 103.00(12) . . ?
C5 Gd2 Si8 85.41(9) . . ?
C3 Gd2 Si8 115.02(13) . . ?
C1 Gd2 Si8 160.38(11) . . ?
C7 Gd2 Si8 132.81(13) . . ?
C4 Gd2 Si8 91.26(10) . . ?
N3 Gd2 Si5 27.31(7) . . ?
N4 Gd2 Si5 99.56(7) . . ?
C2 Gd2 Si5 89.62(11) . . ?
C6 Gd2 Si5 128.74(13) . . ?
C5 Gd2 Si5 158.56(11) . . ?
C3 Gd2 Si5 114.79(13) . . ?
C1 Gd2 Si5 84.43(9) . . ?
C7 Gd2 Si5 100.04(11) . . ?
C4 Gd2 Si5 146.51(13) . . ?
Si8 Gd2 Si5 114.18(3) . . ?
N3 Gd2 K1 48.53(6) . . ?
N4 Gd2 K1 49.22(7) . . ?
C2 Gd2 K1 138.71(9) . . ?
C6 Gd2 K1 142.15(9) . . ?
C5 Gd2 K1 142.28(9) . . ?
C3 Gd2 K1 140.42(8) . . ?
C1 Gd2 K1 140.44(9) . . ?
C7 Gd2 K1 141.79(8) . . ?
C4 Gd2 K1 142.27(8) . . ?
Si8 Gd2 K1 57.77(2) . . ?
Si5 Gd2 K1 56.42(2) . . ?
N3 K1 N4 75.13(7) . . ?
N3 K1 C23 58.00(9) . . ?
N4 K1 C23 113.22(10) . . ?
N3 K1 C28 114.69(11) . . ?
N4 K1 C28 57.21(10) . . ?
C23 K1 C28 170.27(11) . . ?
N3 K1 C14 155.85(10) . 4_665 ?
N4 K1 C14 128.07(9) . 4_665 ?
C23 K1 C14 109.48(10) . 4_665 ?
C28 K1 C14 79.68(11) . 4_665 ?
N3 K1 C21 55.00(9) . . ?
N4 K1 C21 118.10(10) . . ?
C23 K1 C21 71.11(12) . . ?
C28 K1 C21 110.82(14) . . ?
C14 K1 C21 102.55(11) 4_665 . ?
N3 K1 Si5 29.26(6) . . ?
N4 K1 Si5 87.91(6) . . ?
C23 K1 Si5 73.83(8) . . ?
C28 K1 Si5 102.70(11) . . ?
C14 K1 Si5 132.29(9) 4_665 . ?
C21 K1 Si5 31.35(8) . . ?
N3 K1 C29 115.55(9) . . ?
N4 K1 C29 54.29(9) . . ?
C23 K1 C29 105.64(13) . . ?
C28 K1 C29 70.86(14) . . ?
C14 K1 C29 86.98(11) 4_665 . ?
C21 K1 C29 170.47(11) . . ?
Si5 K1 C29 139.50(7) . . ?
N3 K1 Si8 86.62(6) . . ?
N4 K1 Si8 28.76(6) . . ?
C23 K1 Si8 99.63(10) . . ?
C28 K1 Si8 72.63(10) . . ?
C14 K1 Si8 116.94(8) 4_665 . ?
C21 K1 Si8 140.02(8) . . ?
Si5 K1 Si8 108.84(3) . . ?
C29 K1 Si8 30.66(7) . . ?
N3 K1 Si6 27.32(5) . . ?
N4 K1 Si6 92.04(6) . . ?
C23 K1 Si6 30.78(7) . . ?
C28 K1 Si6 141.28(9) . . ?
C14 K1 Si6 137.83(8) 4_665 . ?
C21 K1 Si6 60.33(8) . . ?
Si5 K1 Si6 48.52(3) . . ?
C29 K1 Si6 112.18(9) . . ?
Si8 K1 Si6 91.42(3) . . ?
N3 K1 Si7 92.09(6) . . ?
N4 K1 Si7 26.92(6) . . ?
C23 K1 Si7 139.79(8) . . ?
C28 K1 Si7 30.52(8) . . ?
C14 K1 Si7 107.35(8) 4_665 . ?
C21 K1 Si7 115.65(9) . . ?
Si5 K1 Si7 92.93(3) . . ?
C29 K1 Si7 60.73(8) . . ?
Si8 K1 Si7 48.16(3) . . ?
Si6 K1 Si7 114.81(3) . . ?
N3 K1 Gd2 37.45(5) . . ?
N4 K1 Gd2 37.68(5) . . ?
C23 K1 Gd2 84.99(7) . . ?
C28 K1 Gd2 85.63(8) . . ?
C14 K1 Gd2 164.82(8) 4_665 . ?
C21 K1 Gd2 86.20(8) . . ?
Si5 K1 Gd2 54.93(2) . . ?
C29 K1 Gd2 84.57(7) . . ?
Si8 K1 Gd2 53.91(2) . . ?
Si6 K1 Gd2 57.336(19) . . ?
Si7 K1 Gd2 57.48(2) . . ?
N1 Si1 C8 113.05(18) . . ?
N1 Si1 C10 113.2(2) . . ?
C8 Si1 C10 106.9(3) . . ?
N1 Si1 C9 114.1(2) . . ?
C8 Si1 C9 105.2(3) . . ?
C10 Si1 C9 103.7(3) . . ?
N1 Si2 C11 113.99(19) . . ?
N1 Si2 C12 114.2(2) . . ?
C11 Si2 C12 108.6(2) . . ?
N1 Si2 C13 109.27(17) . . ?
C11 Si2 C13 105.4(2) . . ?
C12 Si2 C13 104.6(3) . . ?
N1 Si2 Gd1 43.40(10) . . ?
C11 Si2 Gd1 135.33(15) . . ?
C12 Si2 Gd1 115.94(16) . . ?
C13 Si2 Gd1 67.05(13) . . ?
N2 Si3 C16 109.07(16) . . ?
N2 Si3 C15 116.80(19) . . ?
C16 Si3 C15 104.4(2) . . ?
N2 Si3 C14 112.27(17) . . ?
C16 Si3 C14 108.72(19) . . ?
C15 Si3 C14 105.1(2) . . ?
N2 Si3 Gd1 40.63(10) . . ?
C16 Si3 Gd1 71.56(12) . . ?
C15 Si3 Gd1 142.84(15) . . ?
C14 Si3 Gd1 111.19(13) . . ?
N2 Si4 C18 111.60(17) . . ?
N2 Si4 C19 113.9(2) . . ?
C18 Si4 C19 105.0(2) . . ?
N2 Si4 C17 112.8(2) . . ?
C18 Si4 C17 107.8(2) . . ?
C19 Si4 C17 105.1(3) . . ?
N3 Si5 C22 115.82(18) . . ?
N3 Si5 C20 109.27(17) . . ?
C22 Si5 C20 104.9(2) . . ?
N3 Si5 C21 113.0(2) . . ?
C22 Si5 C21 107.5(2) . . ?
C20 Si5 C21 105.7(2) . . ?
N3 Si5 Gd2 39.67(9) . . ?
C22 Si5 Gd2 109.00(16) . . ?
C20 Si5 Gd2 74.17(13) . . ?
C21 Si5 Gd2 142.19(18) . . ?
N3 Si5 K1 56.91(9) . . ?
C22 Si5 K1 171.50(16) . . ?
C20 Si5 K1 82.57(14) . . ?
C21 Si5 K1 73.82(18) . . ?
Gd2 Si5 K1 68.65(2) . . ?
N3 Si6 C25 114.19(16) . . ?
N3 Si6 C24 115.47(17) . . ?
C25 Si6 C24 104.66(19) . . ?
N3 Si6 C23 110.92(17) . . ?
C25 Si6 C23 106.6(2) . . ?
C24 Si6 C23 104.1(2) . . ?
N3 Si6 K1 51.33(9) . . ?
C25 Si6 K1 123.51(14) . . ?
C24 Si6 K1 131.53(14) . . ?
C23 Si6 K1 59.85(14) . . ?
N4 Si7 C26 114.53(16) . . ?
N4 Si7 C27 114.9(2) . . ?
C26 Si7 C27 104.4(2) . . ?
N4 Si7 C28 111.49(19) . . ?
C26 Si7 C28 105.3(2) . . ?
C27 Si7 C28 105.2(2) . . ?
N4 Si7 K1 51.55(10) . . ?
C26 Si7 K1 120.34(15) . . ?
C27 Si7 K1 134.97(16) . . ?
C28 Si7 K1 60.56(15) . . ?
N4 Si8 C30 115.42(18) . . ?
N4 Si8 C29 113.7(2) . . ?
C30 Si8 C29 107.5(2) . . ?
N4 Si8 C31 109.03(16) . . ?
C30 Si8 C31 105.1(2) . . ?
C29 Si8 C31 105.2(2) . . ?
N4 Si8 Gd2 41.26(9) . . ?
C30 Si8 Gd2 109.27(15) . . ?
C29 Si8 Gd2 142.44(17) . . ?
C31 Si8 Gd2 71.99(13) . . ?
N4 Si8 K1 56.07(10) . . ?
C30 Si8 K1 170.04(17) . . ?
C29 Si8 K1 74.13(16) . . ?
C31 Si8 K1 83.59(13) . . ?
Gd2 Si8 K1 68.32(2) . . ?
Si2 N1 Si1 120.20(17) . . ?
Si2 N1 Gd1 106.39(15) . . ?
Si1 N1 Gd1 133.26(16) . . ?
Si3 N2 Si4 120.23(17) . . ?
Si3 N2 Gd1 110.90(14) . . ?
Si4 N2 Gd1 128.82(15) . . ?
Si5 N3 Si6 118.59(16) . . ?
Si5 N3 Gd2 113.01(13) . . ?
Si6 N3 Gd2 124.52(14) . . ?
Si5 N3 K1 93.83(11) . . ?
Si6 N3 K1 101.35(11) . . ?
Gd2 N3 K1 94.02(9) . . ?
Si7 N4 Si8 119.70(16) . . ?
Si7 N4 Gd2 125.67(15) . . ?
Si8 N4 Gd2 110.46(13) . . ?
Si7 N4 K1 101.53(12) . . ?
Si8 N4 K1 95.18(11) . . ?
Gd2 N4 K1 93.10(9) . . ?
C2 C1 C7 129.4(4) . . ?
C2 C1 Gd2 71.9(2) . . ?
C7 C1 Gd2 74.7(2) . . ?
C2 C1 Gd1 77.7(2) . . ?
C7 C1 Gd1 74.4(2) . . ?
Gd2 C1 Gd1 103.54(14) . . ?
C1 C2 C3 128.4(4) . . ?
C1 C2 Gd2 76.8(2) . . ?
C3 C2 Gd2 76.2(2) . . ?
C1 C2 Gd1 71.9(2) . . ?
C3 C2 Gd1 72.8(2) . . ?
Gd2 C2 Gd1 103.19(14) . . ?
C2 C3 C4 128.9(4) . . ?
C2 C3 Gd2 72.3(2) . . ?
C4 C3 Gd2 75.6(2) . . ?
C2 C3 Gd1 76.8(2) . . ?
C4 C3 Gd1 73.2(2) . . ?
Gd2 C3 Gd1 103.28(13) . . ?
C3 C4 C5 127.3(4) . . ?
C3 C4 Gd1 75.1(2) . . ?
C5 C4 Gd1 76.4(2) . . ?
C3 C4 Gd2 72.7(2) . . ?
C5 C4 Gd2 71.7(2) . . ?
Gd1 C4 Gd2 102.95(13) . . ?
C6 C5 C4 127.8(4) . . ?
C6 C5 Gd2 73.8(2) . . ?
C4 C5 Gd2 76.3(2) . . ?
C6 C5 Gd1 74.3(2) . . ?
C4 C5 Gd1 72.0(2) . . ?
Gd2 C5 Gd1 102.98(14) . . ?
C7 C6 C5 128.4(4) . . ?
C7 C6 Gd2 76.0(2) . . ?
C5 C6 Gd2 74.0(2) . . ?
C7 C6 Gd1 72.6(2) . . ?
C5 C6 Gd1 74.7(2) . . ?
Gd2 C6 Gd1 103.19(14) . . ?
C1 C7 C6 129.0(4) . . ?
C1 C7 Gd1 74.6(2) . . ?
C6 C7 Gd1 76.6(2) . . ?
C1 C7 Gd2 74.3(2) . . ?
C6 C7 Gd2 72.6(2) . . ?
Gd1 C7 Gd2 103.46(13) . . ?
Si2 C13 Gd1 78.46(14) . . ?
Si3 C14 K1 169.1(2) . 4_566 ?
Si5 C21 K1 74.84(16) . . ?
Si6 C23 K1 89.37(15) . . ?
Si7 C28 K1 88.92(16) . . ?
Si8 C29 K1 75.21(15) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C11 Si2 N1 Si1 52.4(3) . . . . ?
C12 Si2 N1 Si1 -73.3(3) . . . . ?
C13 Si2 N1 Si1 170.0(2) . . . . ?
Gd1 Si2 N1 Si1 -176.2(3) . . . . ?
C11 Si2 N1 Gd1 -131.48(19) . . . . ?
C12 Si2 N1 Gd1 102.8(2) . . . . ?
C13 Si2 N1 Gd1 -13.9(2) . . . . ?
C8 Si1 N1 Si2 147.9(3) . . . . ?
C10 Si1 N1 Si2 -90.4(3) . . . . ?
C9 Si1 N1 Si2 27.8(3) . . . . ?
C8 Si1 N1 Gd1 -27.0(3) . . . . ?
C10 Si1 N1 Gd1 94.6(3) . . . . ?
C9 Si1 N1 Gd1 -147.2(2) . . . . ?
C16 Si3 N2 Si4 -154.1(2) . . . . ?
C15 Si3 N2 Si4 -36.1(3) . . . . ?
C14 Si3 N2 Si4 85.3(2) . . . . ?
Gd1 Si3 N2 Si4 -177.6(3) . . . . ?
C16 Si3 N2 Gd1 23.5(2) . . . . ?
C15 Si3 N2 Gd1 141.48(18) . . . . ?
C14 Si3 N2 Gd1 -97.04(19) . . . . ?
C18 Si4 N2 Si3 -46.4(3) . . . . ?
C19 Si4 N2 Si3 -165.1(2) . . . . ?
C17 Si4 N2 Si3 75.1(3) . . . . ?
C18 Si4 N2 Gd1 136.4(2) . . . . ?
C19 Si4 N2 Gd1 17.7(3) . . . . ?
C17 Si4 N2 Gd1 -102.0(3) . . . . ?
C22 Si5 N3 Si6 69.8(3) . . . . ?
C20 Si5 N3 Si6 -172.10(19) . . . . ?
C21 Si5 N3 Si6 -54.8(2) . . . . ?
Gd2 Si5 N3 Si6 158.8(2) . . . . ?
K1 Si5 N3 Si6 -105.13(17) . . . . ?
C22 Si5 N3 Gd2 -89.0(2) . . . . ?
C20 Si5 N3 Gd2 29.1(2) . . . . ?
C21 Si5 N3 Gd2 146.38(18) . . . . ?
K1 Si5 N3 Gd2 96.02(13) . . . . ?
C22 Si5 N3 K1 174.93(19) . . . . ?
C20 Si5 N3 K1 -66.96(17) . . . . ?
C21 Si5 N3 K1 50.36(19) . . . . ?
Gd2 Si5 N3 K1 -96.02(13) . . . . ?
C25 Si6 N3 Si5 -144.7(2) . . . . ?
C24 Si6 N3 Si5 -23.2(2) . . . . ?
C23 Si6 N3 Si5 94.8(2) . . . . ?
K1 Si6 N3 Si5 100.78(18) . . . . ?
C25 Si6 N3 Gd2 11.6(2) . . . . ?
C24 Si6 N3 Gd2 132.99(19) . . . . ?
C23 Si6 N3 Gd2 -108.9(2) . . . . ?
K1 Si6 N3 Gd2 -102.99(17) . . . . ?
C25 Si6 N3 K1 114.56(17) . . . . ?
C24 Si6 N3 K1 -124.02(17) . . . . ?
C23 Si6 N3 K1 -5.9(2) . . . . ?
C26 Si7 N4 Si8 -146.9(2) . . . . ?
C27 Si7 N4 Si8 -25.9(3) . . . . ?
C28 Si7 N4 Si8 93.7(3) . . . . ?
K1 Si7 N4 Si8 102.85(19) . . . . ?
C26 Si7 N4 Gd2 7.9(3) . . . . ?
C27 Si7 N4 Gd2 128.9(2) . . . . ?
C28 Si7 N4 Gd2 -111.6(2) . . . . ?
K1 Si7 N4 Gd2 -102.38(19) . . . . ?
C26 Si7 N4 K1 110.28(18) . . . . ?
C27 Si7 N4 K1 -128.8(2) . . . . ?
C28 Si7 N4 K1 -9.2(2) . . . . ?
C30 Si8 N4 Si7 67.6(3) . . . . ?
C29 Si8 N4 Si7 -57.4(3) . . . . ?
C31 Si8 N4 Si7 -174.45(19) . . . . ?
Gd2 Si8 N4 Si7 158.3(3) . . . . ?
K1 Si8 N4 Si7 -106.43(19) . . . . ?
C30 Si8 N4 Gd2 -90.7(2) . . . . ?
C29 Si8 N4 Gd2 144.31(18) . . . . ?
C31 Si8 N4 Gd2 27.2(2) . . . . ?
K1 Si8 N4 Gd2 95.26(12) . . . . ?
C30 Si8 N4 K1 174.03(19) . . . . ?
C29 Si8 N4 K1 49.05(19) . . . . ?
C31 Si8 N4 K1 -68.02(16) . . . . ?
Gd2 Si8 N4 K1 -95.26(12) . . . . ?
C7 C1 C2 C3 -8.8(7) . . . . ?
Gd2 C1 C2 C3 -60.0(4) . . . . ?
Gd1 C1 C2 C3 48.9(4) . . . . ?
C7 C1 C2 Gd2 51.2(4) . . . . ?
Gd1 C1 C2 Gd2 108.88(12) . . . . ?
C7 C1 C2 Gd1 -57.7(4) . . . . ?
Gd2 C1 C2 Gd1 -108.88(12) . . . . ?
C1 C2 C3 C4 6.7(7) . . . . ?
Gd2 C2 C3 C4 -53.6(4) . . . . ?
Gd1 C2 C3 C4 55.2(4) . . . . ?
C1 C2 C3 Gd2 60.2(4) . . . . ?
Gd1 C2 C3 Gd2 108.80(11) . . . . ?
C1 C2 C3 Gd1 -48.6(4) . . . . ?
Gd2 C2 C3 Gd1 -108.80(11) . . . . ?
C2 C3 C4 C5 2.9(7) . . . . ?
Gd2 C3 C4 C5 -49.5(4) . . . . ?
Gd1 C3 C4 C5 59.5(4) . . . . ?
C2 C3 C4 Gd1 -56.7(4) . . . . ?
Gd2 C3 C4 Gd1 -108.98(11) . . . . ?
C2 C3 C4 Gd2 52.3(4) . . . . ?
Gd1 C3 C4 Gd2 108.98(11) . . . . ?
C3 C4 C5 C6 -6.7(7) . . . . ?
Gd1 C4 C5 C6 52.3(4) . . . . ?
Gd2 C4 C5 C6 -56.5(4) . . . . ?
C3 C4 C5 Gd2 49.8(4) . . . . ?
Gd1 C4 C5 Gd2 108.80(11) . . . . ?
C3 C4 C5 Gd1 -59.0(4) . . . . ?
Gd2 C4 C5 Gd1 -108.80(11) . . . . ?
C4 C5 C6 C7 0.7(7) . . . . ?
Gd2 C5 C6 C7 -56.7(4) . . . . ?
Gd1 C5 C6 C7 52.2(4) . . . . ?
C4 C5 C6 Gd2 57.5(4) . . . . ?
Gd1 C5 C6 Gd2 108.92(11) . . . . ?
C4 C5 C6 Gd1 -51.4(4) . . . . ?
Gd2 C5 C6 Gd1 -108.92(11) . . . . ?
C2 C1 C7 C6 1.1(7) . . . . ?
Gd2 C1 C7 C6 51.2(4) . . . . ?
Gd1 C1 C7 C6 -57.9(4) . . . . ?
C2 C1 C7 Gd1 59.0(4) . . . . ?
Gd2 C1 C7 Gd1 109.14(11) . . . . ?
C2 C1 C7 Gd2 -50.2(4) . . . . ?
Gd1 C1 C7 Gd2 -109.14(11) . . . . ?
C5 C6 C7 C1 4.1(7) . . . . ?
Gd2 C6 C7 C1 -51.9(4) . . . . ?
Gd1 C6 C7 C1 57.1(4) . . . . ?
C5 C6 C7 Gd1 -53.0(4) . . . . ?
Gd2 C6 C7 Gd1 -108.96(11) . . . . ?
C5 C6 C7 Gd2 56.0(4) . . . . ?
Gd1 C6 C7 Gd2 108.96(11) . . . . ?
N1 Si2 C13 Gd1 10.31(16) . . . . ?
C11 Si2 C13 Gd1 133.20(16) . . . . ?
C12 Si2 C13 Gd1 -112.38(18) . . . . ?
N2 Si3 C14 K1 -86.0(11) . . . 4_566 ?
C16 Si3 C14 K1 153.3(10) . . . 4_566 ?
C15 Si3 C14 K1 42.0(11) . . . 4_566 ?
Gd1 Si3 C14 K1 -129.8(10) . . . 4_566 ?
N3 Si5 C21 K1 -42.21(14) . . . . ?
C22 Si5 C21 K1 -171.22(16) . . . . ?
C20 Si5 C21 K1 77.22(17) . . . . ?
Gd2 Si5 C21 K1 -7.0(2) . . . . ?
N3 Si6 C23 K1 5.35(18) . . . . ?
C25 Si6 C23 K1 -119.53(16) . . . . ?
C24 Si6 C23 K1 130.15(16) . . . . ?
N4 Si7 C28 K1 8.2(2) . . . . ?
C26 Si7 C28 K1 -116.53(17) . . . . ?
C27 Si7 C28 K1 133.43(17) . . . . ?
N4 Si8 C29 K1 -40.65(15) . . . . ?
C30 Si8 C29 K1 -169.75(18) . . . . ?
C31 Si8 C29 K1 78.60(16) . . . . ?
Gd2 Si8 C29 K1 -1.5(3) . . . . ?

_refine_diff_density_max         2.022
_refine_diff_density_min         -0.913
_refine_diff_density_rms         0.107

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mm462
_database_code_depnum_ccdc_archive 'CCDC 1454169'
_audit_update_record             
;
2016-02-18 deposited with the CCDC.
2016-08-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C31 H79 Dy2 K N4 Si8'
_chemical_formula_weight         1096.80

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.1259(4)
_cell_length_b                   14.2954(4)
_cell_length_c                   25.2343(6)
_cell_angle_alpha                90
_cell_angle_beta                 95.2741(13)
_cell_angle_gamma                90
_cell_volume                     5074.1(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9537
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      28.38

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      n/a
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_F_000             2224
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    3.217
_shelx_estimated_absorpt_T_min   0.551
_shelx_estimated_absorpt_T_max   0.699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5770
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            58488
_diffrn_reflns_av_unetI/netI     0.0291
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.723
_diffrn_reflns_theta_max         28.424
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             12645
_reflns_number_gt                10273
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'APEX II, Bruker (2009)'
_computing_cell_refinement       'APEX II, Bruker (2009)'
_computing_data_reduction        'XPREP, Bruker (2009)'
_computing_structure_solution    'SHELXS-03 (Sheldrick, 2003)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXTL, Bruker (2004)'
_computing_publication_material  'SHELXTL, Bruker (2004)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0248P)²+8.8760P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12645
_refine_ls_number_parameters     415
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0299
_refine_ls_wR_factor_ref         0.0693
_refine_ls_wR_factor_gt          0.0642
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.019
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.17122(2) 0.23147(2) 1.06792(2) 0.02502(4) Uani 1 1 d . . . . .
Dy2 Dy 0.30311(2) 0.22487(2) 0.93352(2) 0.02336(4) Uani 1 1 d . . . . .
K1 K 0.43712(7) 0.21521(7) 0.80635(3) 0.0517(2) Uani 1 1 d . . . . .
Si1 Si 0.31778(8) 0.20789(9) 1.19576(4) 0.0408(3) Uani 1 1 d . . . . .
Si2 Si 0.17732(9) 0.06564(7) 1.15527(4) 0.0408(3) Uani 1 1 d . . . . .
Si3 Si 0.05042(7) 0.38801(7) 1.12996(4) 0.0311(2) Uani 1 1 d . . . . .
Si4 Si -0.08004(7) 0.28752(8) 1.05108(4) 0.0383(2) Uani 1 1 d . . . . .
Si5 Si 0.54326(7) 0.25022(7) 0.93452(4) 0.0330(2) Uani 1 1 d . . . . .
Si6 Si 0.44355(7) 0.42079(7) 0.89389(4) 0.0293(2) Uani 1 1 d . . . . .
Si7 Si 0.29052(8) 0.01964(7) 0.84804(4) 0.0361(2) Uani 1 1 d . . . . .
Si8 Si 0.18819(8) 0.19249(8) 0.81184(4) 0.0347(2) Uani 1 1 d . . . . .
N1 N 0.2307(2) 0.1713(2) 1.14826(11) 0.0305(6) Uani 1 1 d . . . . .
N2 N 0.0321(2) 0.3043(2) 1.08244(11) 0.0301(6) Uani 1 1 d . . . . .
N3 N 0.43899(19) 0.30421(19) 0.91073(10) 0.0263(6) Uani 1 1 d . . . . .
N4 N 0.2718(2) 0.13755(19) 0.85486(10) 0.0267(6) Uani 1 1 d . . . . .
C1 C 0.3335(3) 0.2648(4) 1.03276(15) 0.0553(13) Uani 1 1 d . . . . .
H1A H 0.3886 0.2867 1.0536 0.066 Uiso 1 1 calc R U . . .
C2 C 0.3260(3) 0.1686(4) 1.02820(16) 0.0561(13) Uani 1 1 d . . . . .
H2A H 0.3798 0.1339 1.0424 0.067 Uiso 1 1 calc R U . . .
C3 C 0.2498(4) 0.1160(3) 1.00552(17) 0.0588(15) Uani 1 1 d . . . . .
H3A H 0.2562 0.0501 1.0093 0.071 Uiso 1 1 calc R U . . .
C4 C 0.1634(4) 0.1474(4) 0.97731(16) 0.0576(14) Uani 1 1 d . . . . .
H4A H 0.1182 0.1004 0.9666 0.069 Uiso 1 1 calc R U . . .
C5 C 0.1373(3) 0.2404(4) 0.96341(15) 0.0551(14) Uani 1 1 d . . . . .
H5A H 0.0799 0.2478 0.9410 0.066 Uiso 1 1 calc R U . . .
C6 C 0.1866(4) 0.3239(3) 0.97896(16) 0.0536(13) Uani 1 1 d . . . . .
H6A H 0.1578 0.3803 0.9657 0.064 Uiso 1 1 calc R U . . .
C7 C 0.2722(4) 0.3345(3) 1.01131(15) 0.0498(12) Uani 1 1 d . . . . .
H7A H 0.2908 0.3970 1.0197 0.060 Uiso 1 1 calc R U . . .
C8 C 0.4103(3) 0.2812(4) 1.16847(18) 0.0644(14) Uani 1 1 d . . . . .
H8A H 0.4577 0.2997 1.1974 0.097 Uiso 1 1 calc R U . . .
H8B H 0.4413 0.2453 1.1419 0.097 Uiso 1 1 calc R U . . .
H8C H 0.3807 0.3372 1.1518 0.097 Uiso 1 1 calc R U . . .
C9 C 0.3853(4) 0.1104(4) 1.2315(2) 0.0832(18) Uani 1 1 d . . . . .
H9A H 0.4334 0.1365 1.2579 0.125 Uiso 1 1 calc R U . . .
H9B H 0.3413 0.0712 1.2496 0.125 Uiso 1 1 calc R U . . .
H9C H 0.4164 0.0724 1.2059 0.125 Uiso 1 1 calc R U . . .
C10 C 0.2703(4) 0.2769(4) 1.25041(17) 0.0640(14) Uani 1 1 d . . . . .
H10A H 0.3230 0.2958 1.2762 0.096 Uiso 1 1 calc R U . . .
H10B H 0.2377 0.3327 1.2354 0.096 Uiso 1 1 calc R U . . .
H10C H 0.2255 0.2384 1.2683 0.096 Uiso 1 1 calc R U . . .
C11 C 0.1285(3) 0.0495(3) 1.22131(16) 0.0550(12) Uani 1 1 d . . . . .
H11A H 0.0990 -0.0124 1.2226 0.082 Uiso 1 1 calc R U . . .
H11B H 0.1802 0.0546 1.2498 0.082 Uiso 1 1 calc R U . . .
H11C H 0.0808 0.0979 1.2260 0.082 Uiso 1 1 calc R U . . .
C12 C 0.2529(5) -0.0382(3) 1.1420(2) 0.0834(19) Uani 1 1 d . . . . .
H12A H 0.2171 -0.0958 1.1469 0.125 Uiso 1 1 calc R U . . .
H12B H 0.2706 -0.0353 1.1053 0.125 Uiso 1 1 calc R U . . .
H12C H 0.3105 -0.0378 1.1668 0.125 Uiso 1 1 calc R U . . .
C13 C 0.0712(4) 0.0574(3) 1.10494(16) 0.0565(12) Uani 1 1 d . . . . .
H13A H 0.0398 -0.0031 1.1085 0.085 Uiso 1 1 calc R U . . .
H13B H 0.0266 0.1080 1.1110 0.085 Uiso 1 1 calc R U . . .
H13C H 0.0918 0.0630 1.0690 0.085 Uiso 1 1 calc R U . . .
C14 C 0.0248(3) 0.3443(3) 1.19739(14) 0.0399(9) Uani 1 1 d . . . . .
H14A H 0.0363 0.3946 1.2236 0.060 Uiso 1 1 calc R U . . .
H14B H -0.0417 0.3243 1.1962 0.060 Uiso 1 1 calc R U . . .
H14C H 0.0666 0.2913 1.2076 0.060 Uiso 1 1 calc R U . . .
C15 C -0.0205(3) 0.4987(3) 1.11988(19) 0.0550(11) Uani 1 1 d . . . . .
H15A H -0.0039 0.5414 1.1497 0.083 Uiso 1 1 calc R U . . .
H15B H -0.0061 0.5286 1.0866 0.083 Uiso 1 1 calc R U . . .
H15C H -0.0885 0.4840 1.1181 0.083 Uiso 1 1 calc R U . . .
C16 C 0.1774(3) 0.4272(3) 1.13354(15) 0.0395(8) Uani 1 1 d . . . . .
H16A H 0.1883 0.4756 1.1609 0.059 Uiso 1 1 calc R U . . .
H16B H 0.2193 0.3738 1.1426 0.059 Uiso 1 1 calc R U . . .
H16C H 0.1910 0.4528 1.0990 0.059 Uiso 1 1 calc R U . . .
C17 C -0.1151(4) 0.3807(4) 1.00089(19) 0.0741(16) Uani 1 1 d . . . . .
H17A H -0.1792 0.3679 0.9843 0.111 Uiso 1 1 calc R U . . .
H17B H -0.1142 0.4417 1.0186 0.111 Uiso 1 1 calc R U . . .
H17C H -0.0701 0.3812 0.9735 0.111 Uiso 1 1 calc R U . . .
C18 C -0.1721(3) 0.2843(3) 1.09992(17) 0.0459(10) Uani 1 1 d . . . . .
H18A H -0.2350 0.2747 1.0809 0.069 Uiso 1 1 calc R U . . .
H18B H -0.1580 0.2329 1.1251 0.069 Uiso 1 1 calc R U . . .
H18C H -0.1714 0.3437 1.1194 0.069 Uiso 1 1 calc R U . . .
C19 C -0.0954(3) 0.1750(4) 1.0135(2) 0.0687(15) Uani 1 1 d . . . . .
H19A H -0.1607 0.1706 0.9968 0.103 Uiso 1 1 calc R U . . .
H19B H -0.0510 0.1730 0.9859 0.103 Uiso 1 1 calc R U . . .
H19C H -0.0826 0.1224 1.0380 0.103 Uiso 1 1 calc R U . . .
C20 C 0.5230(3) 0.1213(3) 0.93987(18) 0.0471(10) Uani 1 1 d . . . . .
H20A H 0.5824 0.0906 0.9534 0.071 Uiso 1 1 calc R U . . .
H20B H 0.4743 0.1096 0.9643 0.071 Uiso 1 1 calc R U . . .
H20C H 0.5017 0.0960 0.9047 0.071 Uiso 1 1 calc R U . . .
C21 C 0.6402(3) 0.2628(3) 0.8890(2) 0.0568(12) Uani 1 1 d . . . . .
H21A H 0.6975 0.2309 0.9045 0.085 Uiso 1 1 calc R U . . .
H21B H 0.6196 0.2349 0.8543 0.085 Uiso 1 1 calc R U . . .
H21C H 0.6541 0.3293 0.8842 0.085 Uiso 1 1 calc R U . . .
C22 C 0.5940(3) 0.2871(3) 1.00210(18) 0.0555(12) Uani 1 1 d . . . . .
H22A H 0.6529 0.2524 1.0119 0.083 Uiso 1 1 calc R U . . .
H22B H 0.6077 0.3543 1.0020 0.083 Uiso 1 1 calc R U . . .
H22C H 0.5481 0.2739 1.0280 0.083 Uiso 1 1 calc R U . . .
C23 C 0.4566(4) 0.4360(3) 0.82081(15) 0.0541(11) Uani 1 1 d . . . . .
H23A H 0.4590 0.5029 0.8124 0.081 Uiso 1 1 calc R U . . .
H23B H 0.5154 0.4059 0.8120 0.081 Uiso 1 1 calc R U . . .
H23C H 0.4022 0.4073 0.8000 0.081 Uiso 1 1 calc R U . . .
C24 C 0.5459(3) 0.4883(3) 0.92696(16) 0.0440(9) Uani 1 1 d . . . . .
H24A H 0.5421 0.5535 0.9148 0.066 Uiso 1 1 calc R U . . .
H24B H 0.5436 0.4863 0.9656 0.066 Uiso 1 1 calc R U . . .
H24C H 0.6057 0.4606 0.9177 0.066 Uiso 1 1 calc R U . . .
C25 C 0.3360(3) 0.4893(3) 0.90782(16) 0.0418(9) Uani 1 1 d . . . . .
H25A H 0.3439 0.5546 0.8972 0.063 Uiso 1 1 calc R U . . .
H25B H 0.2798 0.4628 0.8876 0.063 Uiso 1 1 calc R U . . .
H25C H 0.3279 0.4864 0.9459 0.063 Uiso 1 1 calc R U . . .
C26 C 0.3246(3) -0.0438(3) 0.91136(16) 0.0478(10) Uani 1 1 d . . . . .
H26A H 0.3339 -0.1103 0.9038 0.072 Uiso 1 1 calc R U . . .
H26B H 0.3839 -0.0176 0.9284 0.072 Uiso 1 1 calc R U . . .
H26C H 0.2741 -0.0370 0.9352 0.072 Uiso 1 1 calc R U . . .
C27 C 0.1856(4) -0.0467(3) 0.81664(18) 0.0633(14) Uani 1 1 d . . . . .
H27A H 0.2021 -0.1131 0.8142 0.095 Uiso 1 1 calc R U . . .
H27B H 0.1321 -0.0397 0.8384 0.095 Uiso 1 1 calc R U . . .
H27C H 0.1678 -0.0220 0.7809 0.095 Uiso 1 1 calc R U . . .
C28 C 0.3896(4) -0.0035(3) 0.8048(2) 0.0683(15) Uani 1 1 d . . . . .
H28A H 0.3988 -0.0711 0.8015 0.103 Uiso 1 1 calc R U . . .
H28B H 0.3732 0.0234 0.7694 0.103 Uiso 1 1 calc R U . . .
H28C H 0.4484 0.0252 0.8208 0.103 Uiso 1 1 calc R U . . .
C29 C 0.2096(4) 0.1776(4) 0.73962(14) 0.0580(12) Uani 1 1 d . . . . .
H29A H 0.1599 0.2103 0.7172 0.087 Uiso 1 1 calc R U . . .
H29B H 0.2719 0.2038 0.7336 0.087 Uiso 1 1 calc R U . . .
H29C H 0.2084 0.1109 0.7306 0.087 Uiso 1 1 calc R U . . .
C30 C 0.0621(3) 0.1585(4) 0.81868(18) 0.0567(12) Uani 1 1 d . . . . .
H30A H 0.0198 0.1932 0.7927 0.085 Uiso 1 1 calc R U . . .
H30B H 0.0542 0.0913 0.8122 0.085 Uiso 1 1 calc R U . . .
H30C H 0.0460 0.1733 0.8547 0.085 Uiso 1 1 calc R U . . .
C31 C 0.1936(3) 0.3211(3) 0.82445(16) 0.0450(9) Uani 1 1 d . . . . .
H31A H 0.1460 0.3528 0.8000 0.067 Uiso 1 1 calc R U . . .
H31B H 0.1804 0.3336 0.8612 0.067 Uiso 1 1 calc R U . . .
H31C H 0.2570 0.3444 0.8187 0.067 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 N2 2.283(3) . ?
Dy1 N1 2.290(3) . ?
Dy1 C7 2.573(4) . ?
Dy1 C4 2.576(4) . ?
Dy1 C1 2.578(4) . ?
Dy1 C3 2.600(4) . ?
Dy1 C6 2.631(4) . ?
Dy1 C5 2.640(4) . ?
Dy1 C2 2.645(4) . ?
Dy1 Si2 3.2328(10) . ?
Dy1 Si3 3.2957(9) . ?
Dy2 N3 2.346(3) . ?
Dy2 N4 2.352(2) . ?
Dy2 C2 2.514(4) . ?
Dy2 C6 2.525(4) . ?
Dy2 C5 2.536(4) . ?
Dy2 C3 2.558(4) . ?
Dy2 C1 2.566(4) . ?
Dy2 C7 2.580(4) . ?
Dy2 C4 2.596(4) . ?
Dy2 Si8 3.3707(9) . ?
Dy2 Si5 3.4095(10) . ?
Dy2 K1 3.8752(8) . ?
K1 N3 2.923(3) . ?
K1 N4 2.952(3) . ?
K1 C23 3.187(5) . ?
K1 C28 3.197(5) . ?
K1 C14 3.232(4) 4_665 ?
K1 C21 3.455(5) . ?
K1 Si5 3.4737(14) . ?
K1 C29 3.529(5) . ?
K1 Si8 3.5467(15) . ?
K1 Si6 3.6727(13) . ?
K1 Si7 3.6894(14) . ?
Si1 N1 1.719(3) . ?
Si1 C8 1.856(5) . ?
Si1 C10 1.869(5) . ?
Si1 C9 1.873(5) . ?
Si2 N1 1.704(3) . ?
Si2 C11 1.875(4) . ?
Si2 C12 1.877(5) . ?
Si2 C13 1.877(5) . ?
Si3 N2 1.697(3) . ?
Si3 C16 1.874(4) . ?
Si3 C15 1.878(4) . ?
Si3 C14 1.879(4) . ?
Si4 N2 1.721(3) . ?
Si4 C19 1.870(5) . ?
Si4 C18 1.872(4) . ?
Si4 C17 1.873(5) . ?
Si5 N3 1.721(3) . ?
Si5 C22 1.864(4) . ?
Si5 C20 1.872(4) . ?
Si5 C21 1.875(4) . ?
Si6 N3 1.723(3) . ?
Si6 C25 1.868(4) . ?
Si6 C24 1.870(4) . ?
Si6 C23 1.883(4) . ?
Si7 N4 1.717(3) . ?
Si7 C26 1.862(4) . ?
Si7 C27 1.873(4) . ?
Si7 C28 1.882(4) . ?
Si8 N4 1.719(3) . ?
Si8 C31 1.866(4) . ?
Si8 C30 1.870(4) . ?
Si8 C29 1.887(4) . ?
C1 C2 1.383(7) . ?
C1 C7 1.396(7) . ?
C2 C3 1.392(7) . ?
C3 C4 1.427(7) . ?
C4 C5 1.415(7) . ?
C5 C6 1.419(7) . ?
C6 C7 1.404(7) . ?
C14 K1 3.232(4) 4_566 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Dy1 N1 106.28(10) . . ?
N2 Dy1 C7 110.97(14) . . ?
N1 Dy1 C7 121.98(14) . . ?
N2 Dy1 C4 112.81(15) . . ?
N1 Dy1 C4 126.36(16) . . ?
C7 Dy1 C4 75.79(12) . . ?
N2 Dy1 C1 140.98(15) . . ?
N1 Dy1 C1 96.24(13) . . ?
C7 Dy1 C1 31.44(15) . . ?
C4 Dy1 C1 75.38(13) . . ?
N2 Dy1 C3 143.94(16) . . ?
N1 Dy1 C3 98.94(13) . . ?
C7 Dy1 C3 74.78(13) . . ?
C4 Dy1 C3 32.02(16) . . ?
C1 Dy1 C3 57.73(16) . . ?
N2 Dy1 C6 92.74(12) . . ?
N1 Dy1 C6 153.10(14) . . ?
C7 Dy1 C6 31.27(15) . . ?
C4 Dy1 C6 58.46(16) . . ?
C1 Dy1 C6 57.83(15) . . ?
C3 Dy1 C6 74.25(12) . . ?
N2 Dy1 C5 93.34(11) . . ?
N1 Dy1 C5 157.05(13) . . ?
C7 Dy1 C5 58.45(15) . . ?
C4 Dy1 C5 31.44(16) . . ?
C1 Dy1 C5 74.51(12) . . ?
C3 Dy1 C5 58.26(15) . . ?
C6 Dy1 C5 31.24(16) . . ?
N2 Dy1 C2 165.80(11) . . ?
N1 Dy1 C2 87.66(11) . . ?
C7 Dy1 C2 57.58(16) . . ?
C4 Dy1 C2 58.31(16) . . ?
C1 Dy1 C2 30.68(16) . . ?
C3 Dy1 C2 30.78(16) . . ?
C6 Dy1 C2 73.21(13) . . ?
C5 Dy1 C2 73.64(12) . . ?
N2 Dy1 Si2 101.20(7) . . ?
N1 Dy1 Si2 30.24(8) . . ?
C7 Dy1 Si2 144.77(12) . . ?
C4 Dy1 Si2 105.04(12) . . ?
C1 Dy1 Si2 113.67(12) . . ?
C3 Dy1 Si2 87.78(9) . . ?
C6 Dy1 Si2 161.97(9) . . ?
C5 Dy1 Si2 135.04(13) . . ?
C2 Dy1 Si2 92.19(10) . . ?
N2 Dy1 Si3 28.75(7) . . ?
N1 Dy1 Si3 89.91(7) . . ?
C7 Dy1 Si3 102.30(10) . . ?
C4 Dy1 Si3 139.15(14) . . ?
C1 Dy1 Si3 123.62(13) . . ?
C3 Dy1 Si3 170.91(12) . . ?
C6 Dy1 Si3 98.71(9) . . ?
C5 Dy1 Si3 112.79(11) . . ?
C2 Dy1 Si3 153.23(14) . . ?
Si2 Dy1 Si3 99.01(3) . . ?
N3 Dy2 N4 98.31(9) . . ?
N3 Dy2 C2 110.55(14) . . ?
N4 Dy2 C2 129.06(15) . . ?
N3 Dy2 C6 114.99(14) . . ?
N4 Dy2 C6 126.93(14) . . ?
C2 Dy2 C6 77.28(13) . . ?
N3 Dy2 C5 146.06(15) . . ?
N4 Dy2 C5 100.95(12) . . ?
C2 Dy2 C5 77.69(13) . . ?
C6 Dy2 C5 32.58(16) . . ?
N3 Dy2 C3 140.28(15) . . ?
N4 Dy2 C3 103.39(13) . . ?
C2 Dy2 C3 31.86(16) . . ?
C6 Dy2 C3 76.80(13) . . ?
C5 Dy2 C3 60.10(16) . . ?
N3 Dy2 C1 93.68(11) . . ?
N4 Dy2 C1 160.61(14) . . ?
C2 Dy2 C1 31.58(17) . . ?
C6 Dy2 C1 59.32(16) . . ?
C5 Dy2 C1 76.51(13) . . ?
C3 Dy2 C1 58.40(16) . . ?
N3 Dy2 C7 95.30(11) . . ?
N4 Dy2 C7 158.83(14) . . ?
C2 Dy2 C7 59.13(16) . . ?
C6 Dy2 C7 31.90(16) . . ?
C5 Dy2 C7 59.68(15) . . ?
C3 Dy2 C7 75.38(13) . . ?
C1 Dy2 C7 31.47(15) . . ?
N3 Dy2 C4 168.92(11) . . ?
N4 Dy2 C4 92.37(11) . . ?
C2 Dy2 C4 59.70(17) . . ?
C6 Dy2 C4 59.54(16) . . ?
C5 Dy2 C4 31.97(16) . . ?
C3 Dy2 C4 32.15(16) . . ?
C1 Dy2 C4 75.24(13) . . ?
C7 Dy2 C4 75.33(12) . . ?
N3 Dy2 Si8 100.34(7) . . ?
N4 Dy2 Si8 28.46(7) . . ?
C2 Dy2 Si8 146.21(14) . . ?
C6 Dy2 Si8 102.20(12) . . ?
C5 Dy2 Si8 84.39(9) . . ?
C3 Dy2 Si8 114.52(13) . . ?
C1 Dy2 Si8 160.58(10) . . ?
C7 Dy2 Si8 132.51(12) . . ?
C4 Dy2 Si8 90.46(10) . . ?
N3 Dy2 Si5 27.69(7) . . ?
N4 Dy2 Si5 99.94(7) . . ?
C2 Dy2 Si5 89.20(11) . . ?
C6 Dy2 Si5 128.81(13) . . ?
C5 Dy2 Si5 159.11(10) . . ?
C3 Dy2 Si5 114.65(14) . . ?
C1 Dy2 Si5 83.79(9) . . ?
C7 Dy2 Si5 99.64(11) . . ?
C4 Dy2 Si5 146.80(14) . . ?
Si8 Dy2 Si5 114.64(3) . . ?
N3 Dy2 K1 48.80(6) . . ?
N4 Dy2 K1 49.51(7) . . ?
C2 Dy2 K1 138.23(9) . . ?
C6 Dy2 K1 141.68(9) . . ?
C5 Dy2 K1 141.66(9) . . ?
C3 Dy2 K1 139.88(9) . . ?
C1 Dy2 K1 139.93(9) . . ?
C7 Dy2 K1 141.39(9) . . ?
C4 Dy2 K1 141.77(8) . . ?
Si8 Dy2 K1 58.11(2) . . ?
Si5 Dy2 K1 56.53(2) . . ?
N3 K1 N4 74.45(7) . . ?
N3 K1 C23 58.14(9) . . ?
N4 K1 C23 112.85(10) . . ?
N3 K1 C28 114.92(11) . . ?
N4 K1 C28 57.59(10) . . ?
C23 K1 C28 170.37(12) . . ?
N3 K1 C14 155.34(10) . 4_665 ?
N4 K1 C14 129.32(9) . 4_665 ?
C23 K1 C14 108.81(10) . 4_665 ?
C28 K1 C14 80.12(11) . 4_665 ?
N3 K1 C21 55.41(9) . . ?
N4 K1 C21 117.94(10) . . ?
C23 K1 C21 71.19(12) . . ?
C28 K1 C21 111.22(14) . . ?
C14 K1 C21 101.73(11) 4_665 . ?
N3 K1 Si5 29.65(6) . . ?
N4 K1 Si5 87.61(6) . . ?
C23 K1 Si5 74.06(8) . . ?
C28 K1 Si5 102.99(11) . . ?
C14 K1 Si5 131.57(8) 4_665 . ?
C21 K1 Si5 31.41(8) . . ?
N3 K1 C29 115.39(9) . . ?
N4 K1 C29 54.55(8) . . ?
C23 K1 C29 105.72(13) . . ?
C28 K1 C29 70.36(14) . . ?
C14 K1 C29 87.56(10) 4_665 . ?
C21 K1 C29 170.71(10) . . ?
Si5 K1 C29 139.67(7) . . ?
N3 K1 Si8 86.07(6) . . ?
N4 K1 Si8 28.85(6) . . ?
C23 K1 Si8 99.31(10) . . ?
C28 K1 Si8 72.73(10) . . ?
C14 K1 Si8 117.91(8) 4_665 . ?
C21 K1 Si8 139.96(8) . . ?
Si5 K1 Si8 108.75(3) . . ?
C29 K1 Si8 30.93(7) . . ?
N3 K1 Si6 27.38(6) . . ?
N4 K1 Si6 91.62(6) . . ?
C23 K1 Si6 30.84(7) . . ?
C28 K1 Si6 141.59(9) . . ?
C14 K1 Si6 137.07(8) 4_665 . ?
C21 K1 Si6 60.41(8) . . ?
Si5 K1 Si6 48.70(2) . . ?
C29 K1 Si6 112.34(9) . . ?
Si8 K1 Si6 91.12(3) . . ?
N3 K1 Si7 91.82(6) . . ?
N4 K1 Si7 27.18(6) . . ?
C23 K1 Si7 139.71(9) . . ?
C28 K1 Si7 30.66(8) . . ?
C14 K1 Si7 108.19(8) 4_665 . ?
C21 K1 Si7 115.71(9) . . ?
Si5 K1 Si7 92.82(3) . . ?
C29 K1 Si7 60.67(8) . . ?
Si8 K1 Si7 48.32(3) . . ?
Si6 K1 Si7 114.73(3) . . ?
N3 K1 Dy2 37.15(5) . . ?
N4 K1 Dy2 37.30(5) . . ?
C23 K1 Dy2 85.04(7) . . ?
C28 K1 Dy2 85.82(8) . . ?
C14 K1 Dy2 165.59(8) 4_665 . ?
C21 K1 Dy2 86.27(8) . . ?
Si5 K1 Dy2 54.96(2) . . ?
C29 K1 Dy2 84.71(7) . . ?
Si8 K1 Dy2 53.80(2) . . ?
Si6 K1 Dy2 57.339(19) . . ?
Si7 K1 Dy2 57.40(2) . . ?
N1 Si1 C8 113.35(17) . . ?
N1 Si1 C10 113.14(19) . . ?
C8 Si1 C10 106.8(3) . . ?
N1 Si1 C9 114.2(2) . . ?
C8 Si1 C9 104.7(3) . . ?
C10 Si1 C9 103.8(3) . . ?
N1 Si2 C11 113.79(18) . . ?
N1 Si2 C12 114.7(2) . . ?
C11 Si2 C12 108.9(2) . . ?
N1 Si2 C13 108.58(17) . . ?
C11 Si2 C13 104.9(2) . . ?
C12 Si2 C13 105.1(3) . . ?
N1 Si2 Dy1 42.58(10) . . ?
C11 Si2 Dy1 135.00(15) . . ?
C12 Si2 Dy1 115.98(17) . . ?
C13 Si2 Dy1 67.37(13) . . ?
N2 Si3 C16 109.17(15) . . ?
N2 Si3 C15 117.00(18) . . ?
C16 Si3 C15 104.5(2) . . ?
N2 Si3 C14 112.08(17) . . ?
C16 Si3 C14 108.59(18) . . ?
C15 Si3 C14 104.97(19) . . ?
N2 Si3 Dy1 40.31(10) . . ?
C16 Si3 Dy1 72.00(12) . . ?
C15 Si3 Dy1 143.22(15) . . ?
C14 Si3 Dy1 110.83(13) . . ?
N2 Si4 C19 114.33(19) . . ?
N2 Si4 C18 111.49(16) . . ?
C19 Si4 C18 104.9(2) . . ?
N2 Si4 C17 112.8(2) . . ?
C19 Si4 C17 104.9(3) . . ?
C18 Si4 C17 107.8(2) . . ?
N3 Si5 C22 115.92(18) . . ?
N3 Si5 C20 109.58(17) . . ?
C22 Si5 C20 105.1(2) . . ?
N3 Si5 C21 113.11(19) . . ?
C22 Si5 C21 107.0(2) . . ?
C20 Si5 C21 105.3(2) . . ?
N3 Si5 Dy2 39.30(9) . . ?
C22 Si5 Dy2 109.60(16) . . ?
C20 Si5 Dy2 74.77(13) . . ?
C21 Si5 Dy2 141.95(17) . . ?
N3 Si5 K1 57.16(9) . . ?
C22 Si5 K1 171.59(15) . . ?
C20 Si5 K1 82.51(14) . . ?
C21 Si5 K1 73.74(17) . . ?
Dy2 Si5 K1 68.52(2) . . ?
N3 Si6 C25 114.28(16) . . ?
N3 Si6 C24 115.74(16) . . ?
C25 Si6 C24 104.74(19) . . ?
N3 Si6 C23 111.28(17) . . ?
C25 Si6 C23 106.1(2) . . ?
C24 Si6 C23 103.6(2) . . ?
N3 Si6 K1 51.30(9) . . ?
C25 Si6 K1 123.85(13) . . ?
C24 Si6 K1 131.05(14) . . ?
C23 Si6 K1 60.18(14) . . ?
N4 Si7 C26 114.98(16) . . ?
N4 Si7 C27 114.59(19) . . ?
C26 Si7 C27 104.4(2) . . ?
N4 Si7 C28 111.14(18) . . ?
C26 Si7 C28 105.4(2) . . ?
C27 Si7 C28 105.5(2) . . ?
N4 Si7 K1 51.74(10) . . ?
C26 Si7 K1 120.41(14) . . ?
C27 Si7 K1 134.92(15) . . ?
C28 Si7 K1 60.06(15) . . ?
N4 Si8 C31 109.13(16) . . ?
N4 Si8 C30 115.34(18) . . ?
C31 Si8 C30 105.3(2) . . ?
N4 Si8 C29 113.37(19) . . ?
C31 Si8 C29 105.6(2) . . ?
C30 Si8 C29 107.4(2) . . ?
N4 Si8 Dy2 40.70(9) . . ?
C31 Si8 Dy2 72.59(12) . . ?
C30 Si8 Dy2 109.55(14) . . ?
C29 Si8 Dy2 142.07(16) . . ?
N4 Si8 K1 55.99(10) . . ?
C31 Si8 K1 83.78(14) . . ?
C30 Si8 K1 169.71(16) . . ?
C29 Si8 K1 74.03(16) . . ?
Dy2 Si8 K1 68.09(2) . . ?
Si2 N1 Si1 119.50(16) . . ?
Si2 N1 Dy1 107.17(15) . . ?
Si1 N1 Dy1 133.15(16) . . ?
Si3 N2 Si4 119.80(17) . . ?
Si3 N2 Dy1 110.93(14) . . ?
Si4 N2 Dy1 129.22(15) . . ?
Si5 N3 Si6 118.01(16) . . ?
Si5 N3 Dy2 113.01(13) . . ?
Si6 N3 Dy2 125.32(14) . . ?
Si5 N3 K1 93.19(11) . . ?
Si6 N3 K1 101.32(11) . . ?
Dy2 N3 K1 94.05(9) . . ?
Si7 N4 Si8 119.24(15) . . ?
Si7 N4 Dy2 125.93(14) . . ?
Si8 N4 Dy2 110.84(13) . . ?
Si7 N4 K1 101.08(12) . . ?
Si8 N4 K1 95.16(11) . . ?
Dy2 N4 K1 93.19(9) . . ?
C2 C1 C7 129.5(4) . . ?
C2 C1 Dy2 72.1(2) . . ?
C7 C1 Dy2 74.8(2) . . ?
C2 C1 Dy1 77.3(2) . . ?
C7 C1 Dy1 74.1(2) . . ?
Dy2 C1 Dy1 102.72(14) . . ?
C1 C2 C3 128.5(4) . . ?
C1 C2 Dy2 76.3(2) . . ?
C3 C2 Dy2 75.8(2) . . ?
C1 C2 Dy1 72.0(2) . . ?
C3 C2 Dy1 72.8(2) . . ?
Dy2 C2 Dy1 102.30(14) . . ?
C2 C3 C4 128.9(4) . . ?
C2 C3 Dy2 72.3(2) . . ?
C4 C3 Dy2 75.4(2) . . ?
C2 C3 Dy1 76.4(2) . . ?
C4 C3 Dy1 73.1(2) . . ?
Dy2 C3 Dy1 102.36(14) . . ?
C5 C4 C3 127.7(4) . . ?
C5 C4 Dy1 76.8(2) . . ?
C3 C4 Dy1 74.9(2) . . ?
C5 C4 Dy2 71.7(2) . . ?
C3 C4 Dy2 72.4(2) . . ?
Dy1 C4 Dy2 101.94(13) . . ?
C4 C5 C6 127.7(4) . . ?
C4 C5 Dy2 76.4(2) . . ?
C6 C5 Dy2 73.3(2) . . ?
C4 C5 Dy1 71.8(2) . . ?
C6 C5 Dy1 74.0(2) . . ?
Dy2 C5 Dy1 101.83(13) . . ?
C7 C6 C5 128.8(4) . . ?
C7 C6 Dy2 76.2(2) . . ?
C5 C6 Dy2 74.2(2) . . ?
C7 C6 Dy1 72.1(2) . . ?
C5 C6 Dy1 74.7(2) . . ?
Dy2 C6 Dy1 102.39(14) . . ?
C1 C7 C6 128.3(4) . . ?
C1 C7 Dy1 74.5(2) . . ?
C6 C7 Dy1 76.6(2) . . ?
C1 C7 Dy2 73.7(2) . . ?
C6 C7 Dy2 71.9(2) . . ?
Dy1 C7 Dy2 102.49(13) . . ?
Si3 C14 K1 168.2(2) . 4_566 ?
Si5 C21 K1 74.85(15) . . ?
Si6 C23 K1 88.98(15) . . ?
Si7 C28 K1 89.28(16) . . ?
Si8 C29 K1 75.05(14) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C11 Si2 N1 Si1 52.7(3) . . . . ?
C12 Si2 N1 Si1 -73.6(3) . . . . ?
C13 Si2 N1 Si1 169.1(2) . . . . ?
Dy1 Si2 N1 Si1 -175.9(3) . . . . ?
C11 Si2 N1 Dy1 -131.47(19) . . . . ?
C12 Si2 N1 Dy1 102.2(2) . . . . ?
C13 Si2 N1 Dy1 -15.0(2) . . . . ?
C8 Si1 N1 Si2 147.9(2) . . . . ?
C10 Si1 N1 Si2 -90.4(3) . . . . ?
C9 Si1 N1 Si2 28.0(3) . . . . ?
C8 Si1 N1 Dy1 -26.7(3) . . . . ?
C10 Si1 N1 Dy1 95.0(3) . . . . ?
C9 Si1 N1 Dy1 -146.6(3) . . . . ?
C16 Si3 N2 Si4 -154.09(19) . . . . ?
C15 Si3 N2 Si4 -35.7(3) . . . . ?
C14 Si3 N2 Si4 85.6(2) . . . . ?
Dy1 Si3 N2 Si4 -177.8(3) . . . . ?
C16 Si3 N2 Dy1 23.7(2) . . . . ?
C15 Si3 N2 Dy1 142.09(19) . . . . ?
C14 Si3 N2 Dy1 -96.60(18) . . . . ?
C19 Si4 N2 Si3 -164.9(2) . . . . ?
C18 Si4 N2 Si3 -46.1(3) . . . . ?
C17 Si4 N2 Si3 75.4(3) . . . . ?
C19 Si4 N2 Dy1 17.7(3) . . . . ?
C18 Si4 N2 Dy1 136.5(2) . . . . ?
C17 Si4 N2 Dy1 -102.0(3) . . . . ?
C22 Si5 N3 Si6 69.9(2) . . . . ?
C20 Si5 N3 Si6 -171.39(19) . . . . ?
C21 Si5 N3 Si6 -54.3(2) . . . . ?
Dy2 Si5 N3 Si6 159.6(2) . . . . ?
K1 Si5 N3 Si6 -104.62(17) . . . . ?
C22 Si5 N3 Dy2 -89.7(2) . . . . ?
C20 Si5 N3 Dy2 29.0(2) . . . . ?
C21 Si5 N3 Dy2 146.14(18) . . . . ?
K1 Si5 N3 Dy2 95.77(13) . . . . ?
C22 Si5 N3 K1 174.51(18) . . . . ?
C20 Si5 N3 K1 -66.78(17) . . . . ?
C21 Si5 N3 K1 50.37(19) . . . . ?
Dy2 Si5 N3 K1 -95.77(13) . . . . ?
C25 Si6 N3 Si5 -145.23(18) . . . . ?
C24 Si6 N3 Si5 -23.4(2) . . . . ?
C23 Si6 N3 Si5 94.6(2) . . . . ?
K1 Si6 N3 Si5 99.83(18) . . . . ?
C25 Si6 N3 Dy2 11.6(2) . . . . ?
C24 Si6 N3 Dy2 133.46(19) . . . . ?
C23 Si6 N3 Dy2 -108.6(2) . . . . ?
K1 Si6 N3 Dy2 -103.31(17) . . . . ?
C25 Si6 N3 K1 114.94(16) . . . . ?
C24 Si6 N3 K1 -123.23(16) . . . . ?
C23 Si6 N3 K1 -5.3(2) . . . . ?
C26 Si7 N4 Si8 -147.5(2) . . . . ?
C27 Si7 N4 Si8 -26.5(3) . . . . ?
C28 Si7 N4 Si8 92.9(3) . . . . ?
K1 Si7 N4 Si8 102.40(18) . . . . ?
C26 Si7 N4 Dy2 7.9(3) . . . . ?
C27 Si7 N4 Dy2 128.9(2) . . . . ?
C28 Si7 N4 Dy2 -111.7(2) . . . . ?
K1 Si7 N4 Dy2 -102.23(18) . . . . ?
C26 Si7 N4 K1 110.11(18) . . . . ?
C27 Si7 N4 K1 -128.91(19) . . . . ?
C28 Si7 N4 K1 -9.4(2) . . . . ?
C31 Si8 N4 Si7 -173.90(19) . . . . ?
C30 Si8 N4 Si7 67.8(3) . . . . ?
C29 Si8 N4 Si7 -56.6(2) . . . . ?
Dy2 Si8 N4 Si7 158.8(3) . . . . ?
K1 Si8 N4 Si7 -105.77(18) . . . . ?
C31 Si8 N4 Dy2 27.3(2) . . . . ?
C30 Si8 N4 Dy2 -91.0(2) . . . . ?
C29 Si8 N4 Dy2 144.61(18) . . . . ?
K1 Si8 N4 Dy2 95.40(12) . . . . ?
C31 Si8 N4 K1 -68.13(16) . . . . ?
C30 Si8 N4 K1 173.61(18) . . . . ?
C29 Si8 N4 K1 49.21(19) . . . . ?
Dy2 Si8 N4 K1 -95.40(13) . . . . ?
C7 C1 C2 C3 -7.5(7) . . . . ?
Dy2 C1 C2 C3 -59.0(4) . . . . ?
Dy1 C1 C2 C3 49.1(4) . . . . ?
C7 C1 C2 Dy2 51.4(4) . . . . ?
Dy1 C1 C2 Dy2 108.04(12) . . . . ?
C7 C1 C2 Dy1 -56.6(4) . . . . ?
Dy2 C1 C2 Dy1 -108.04(12) . . . . ?
C1 C2 C3 C4 5.8(7) . . . . ?
Dy2 C2 C3 C4 -53.4(4) . . . . ?
Dy1 C2 C3 C4 54.6(4) . . . . ?
C1 C2 C3 Dy2 59.2(4) . . . . ?
Dy1 C2 C3 Dy2 107.95(12) . . . . ?
C1 C2 C3 Dy1 -48.8(4) . . . . ?
Dy2 C2 C3 Dy1 -107.95(12) . . . . ?
C2 C3 C4 C5 3.6(7) . . . . ?
Dy2 C3 C4 C5 -48.6(4) . . . . ?
Dy1 C3 C4 C5 59.5(4) . . . . ?
C2 C3 C4 Dy1 -55.9(4) . . . . ?
Dy2 C3 C4 Dy1 -108.07(12) . . . . ?
C2 C3 C4 Dy2 52.2(4) . . . . ?
Dy1 C3 C4 Dy2 108.07(12) . . . . ?
C3 C4 C5 C6 -7.0(7) . . . . ?
Dy1 C4 C5 C6 51.7(4) . . . . ?
Dy2 C4 C5 C6 -55.9(4) . . . . ?
C3 C4 C5 Dy2 48.9(4) . . . . ?
Dy1 C4 C5 Dy2 107.57(11) . . . . ?
C3 C4 C5 Dy1 -58.7(4) . . . . ?
Dy2 C4 C5 Dy1 -107.57(11) . . . . ?
C4 C5 C6 C7 0.2(7) . . . . ?
Dy2 C5 C6 C7 -56.9(4) . . . . ?
Dy1 C5 C6 C7 51.1(4) . . . . ?
C4 C5 C6 Dy2 57.1(4) . . . . ?
Dy1 C5 C6 Dy2 107.98(11) . . . . ?
C4 C5 C6 Dy1 -50.9(4) . . . . ?
Dy2 C5 C6 Dy1 -107.98(11) . . . . ?
C2 C1 C7 C6 -0.5(7) . . . . ?
Dy2 C1 C7 C6 50.0(4) . . . . ?
Dy1 C1 C7 C6 -58.4(4) . . . . ?
C2 C1 C7 Dy1 57.9(4) . . . . ?
Dy2 C1 C7 Dy1 108.35(11) . . . . ?
C2 C1 C7 Dy2 -50.4(4) . . . . ?
Dy1 C1 C7 Dy2 -108.35(11) . . . . ?
C5 C6 C7 C1 5.4(7) . . . . ?
Dy2 C6 C7 C1 -50.7(4) . . . . ?
Dy1 C6 C7 C1 57.5(4) . . . . ?
C5 C6 C7 Dy1 -52.1(4) . . . . ?
Dy2 C6 C7 Dy1 -108.15(11) . . . . ?
C5 C6 C7 Dy2 56.1(4) . . . . ?
Dy1 C6 C7 Dy2 108.15(11) . . . . ?
N2 Si3 C14 K1 -90.6(9) . . . 4_566 ?
C16 Si3 C14 K1 148.8(9) . . . 4_566 ?
C15 Si3 C14 K1 37.4(10) . . . 4_566 ?
Dy1 Si3 C14 K1 -134.0(9) . . . 4_566 ?
N3 Si5 C21 K1 -42.38(14) . . . . ?
C22 Si5 C21 K1 -171.25(16) . . . . ?
C20 Si5 C21 K1 77.26(16) . . . . ?
Dy2 Si5 C21 K1 -7.4(2) . . . . ?
N3 Si6 C23 K1 4.74(18) . . . . ?
C25 Si6 C23 K1 -120.16(15) . . . . ?
C24 Si6 C23 K1 129.78(15) . . . . ?
N4 Si7 C28 K1 8.6(2) . . . . ?
C26 Si7 C28 K1 -116.59(16) . . . . ?
C27 Si7 C28 K1 133.31(17) . . . . ?
N4 Si8 C29 K1 -40.75(15) . . . . ?
C31 Si8 C29 K1 78.65(16) . . . . ?
C30 Si8 C29 K1 -169.36(17) . . . . ?
Dy2 Si8 C29 K1 -2.9(3) . . . . ?

_refine_diff_density_max         1.430
_refine_diff_density_min         -1.064
_refine_diff_density_rms         0.098

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mm466_5
_database_code_depnum_ccdc_archive 'CCDC 1454170'
_audit_update_record             
;
2016-02-18 deposited with the CCDC.
2016-08-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C31 H79 Er2 K N4 Si8'
_chemical_formula_weight         1106.32

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.0946(7)
_cell_length_b                   14.2965(8)
_cell_length_c                   25.1055(13)
_cell_angle_alpha                90
_cell_angle_beta                 95.170(3)
_cell_angle_gamma                90
_cell_volume                     5038.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9989
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      30.63

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      n/a
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_F_000             2240
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.543
_exptl_crystal_size_min          0.430
_exptl_absorpt_coefficient_mu    3.606
_shelx_estimated_absorpt_T_min   0.161
_shelx_estimated_absorpt_T_max   0.306
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.304526
_exptl_absorpt_correction_T_max  0.746065
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26202
_diffrn_reflns_av_unetI/netI     0.0493
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         1.598
_diffrn_reflns_theta_max         30.659
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             15164
_reflns_number_gt                12527
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'APEX II, Bruker (2009)'
_computing_cell_refinement       'APEX II, Bruker (2009)'
_computing_data_reduction        'XPREP, Bruker (2009)'
_computing_structure_solution    'SHELXS-03 (Sheldrick, 2003)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXTL, Bruker (2004)'
_computing_publication_material  'SHELXTL, Bruker (2004)'
_refine_special_details          
; 
 Refined as a 2-component twin. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0571P)²+21.3484P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15164
_refine_ls_number_parameters     416
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0648
_refine_ls_R_factor_gt           0.0443
_refine_ls_wR_factor_ref         0.1336
_refine_ls_wR_factor_gt          0.1120
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.063
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Er1 Er 0.17213(2) 0.23105(2) 1.06695(2) 0.02263(6) Uani 1 1 d . . . . .
Er2 Er 0.30279(2) 0.22558(2) 0.93389(2) 0.02065(6) Uani 1 1 d . . . . .
K1 K 0.43466(13) 0.21707(12) 0.80531(6) 0.0416(4) Uani 1 1 d . . . . .
Si1 Si 0.31766(14) 0.20724(17) 1.19452(8) 0.0411(5) Uani 1 1 d . . . . .
Si2 Si 0.17648(16) 0.06606(14) 1.15422(8) 0.0390(4) Uani 1 1 d . . . . .
Si3 Si 0.05170(13) 0.38678(13) 1.12981(7) 0.0300(3) Uani 1 1 d . . . . .
Si4 Si -0.07829(13) 0.28720(15) 1.05050(8) 0.0370(4) Uani 1 1 d . . . . .
Si5 Si 0.54219(12) 0.25042(13) 0.93443(7) 0.0308(3) Uani 1 1 d . . . . .
Si6 Si 0.44222(12) 0.42101(12) 0.89416(7) 0.0285(3) Uani 1 1 d . . . . .
Si7 Si 0.28996(14) 0.02123(14) 0.84845(7) 0.0346(4) Uani 1 1 d . . . . .
Si8 Si 0.18786(13) 0.19325(15) 0.81248(7) 0.0337(4) Uani 1 1 d . . . . .
N1 N 0.2301(4) 0.1714(4) 1.1468(2) 0.0313(11) Uani 1 1 d . . . . .
N2 N 0.0345(3) 0.3040(4) 1.08219(19) 0.0278(10) Uani 1 1 d . . . . .
N3 N 0.4372(3) 0.3046(3) 0.91099(19) 0.0242(9) Uani 1 1 d . . . . .
N4 N 0.2713(4) 0.1387(4) 0.85588(19) 0.0283(10) Uani 1 1 d . . . . .
C1 C 0.3347(5) 0.2662(8) 1.0331(3) 0.055(3) Uani 1 1 d . . . . .
H1A H 0.3894 0.2888 1.0541 0.067 Uiso 1 1 calc R U . . .
C2 C 0.3277(6) 0.1703(9) 1.0279(3) 0.063(3) Uani 1 1 d . . . . .
H2A H 0.3822 0.1358 1.0415 0.075 Uiso 1 1 calc R U . . .
C3 C 0.2495(7) 0.1157(5) 1.0046(3) 0.056(3) Uani 1 1 d . . . . .
H3A H 0.2560 0.0498 1.0078 0.067 Uiso 1 1 calc R U . . .
C4 C 0.1616(6) 0.1495(6) 0.9769(3) 0.055(3) Uani 1 1 d . . . . .
H4A H 0.1147 0.1034 0.9668 0.066 Uiso 1 1 calc R U . . .
C5 C 0.1374(5) 0.2425(7) 0.9630(3) 0.050(2) Uani 1 1 d . . . . .
H5A H 0.0805 0.2508 0.9403 0.060 Uiso 1 1 calc R U . . .
C6 C 0.1872(7) 0.3247(6) 0.9787(3) 0.055(2) Uani 1 1 d . . . . .
H6A H 0.1592 0.3811 0.9649 0.066 Uiso 1 1 calc R U . . .
C7 C 0.2707(7) 0.3351(6) 1.0112(3) 0.051(2) Uani 1 1 d . . . . .
H7A H 0.2877 0.3979 1.0202 0.061 Uiso 1 1 calc R U . . .
C8 C 0.4113(6) 0.2816(8) 1.1675(3) 0.064(3) Uani 1 1 d . . . . .
H8A H 0.4587 0.2995 1.1967 0.096 Uiso 1 1 calc R U . . .
H8B H 0.4425 0.2464 1.1405 0.096 Uiso 1 1 calc R U . . .
H8C H 0.3818 0.3380 1.1512 0.096 Uiso 1 1 calc R U . . .
C9 C 0.3853(8) 0.1088(9) 1.2300(5) 0.086(4) Uani 1 1 d . . . . .
H9A H 0.4338 0.1345 1.2564 0.129 Uiso 1 1 calc R U . . .
H9B H 0.3412 0.0695 1.2481 0.129 Uiso 1 1 calc R U . . .
H9C H 0.4163 0.0712 1.2039 0.129 Uiso 1 1 calc R U . . .
C10 C 0.2709(7) 0.2767(8) 1.2504(3) 0.066(3) Uani 1 1 d . . . . .
H10A H 0.3240 0.2950 1.2761 0.099 Uiso 1 1 calc R U . . .
H10B H 0.2385 0.3329 1.2357 0.099 Uiso 1 1 calc R U . . .
H10C H 0.2258 0.2384 1.2684 0.099 Uiso 1 1 calc R U . . .
C11 C 0.1283(6) 0.0489(6) 1.2205(3) 0.052(2) Uani 1 1 d . . . . .
H11A H 0.0987 -0.0130 1.2216 0.078 Uiso 1 1 calc R U . . .
H11B H 0.1803 0.0536 1.2490 0.078 Uiso 1 1 calc R U . . .
H11C H 0.0806 0.0972 1.2256 0.078 Uiso 1 1 calc R U . . .
C12 C 0.2512(9) -0.0368(7) 1.1406(5) 0.081(4) Uani 1 1 d . . . . .
H12A H 0.2154 -0.0944 1.1457 0.121 Uiso 1 1 calc R U . . .
H12B H 0.2684 -0.0339 1.1037 0.121 Uiso 1 1 calc R U . . .
H12C H 0.3093 -0.0364 1.1652 0.121 Uiso 1 1 calc R U . . .
C13 C 0.0699(7) 0.0563(6) 1.1045(3) 0.056(2) Uani 1 1 d . . . . .
H13A H 0.0389 -0.0043 1.1087 0.084 Uiso 1 1 calc R U . . .
H13B H 0.0249 0.1067 1.1106 0.084 Uiso 1 1 calc R U . . .
H13C H 0.0898 0.0614 1.0683 0.084 Uiso 1 1 calc R U . . .
C14 C 0.0235(5) 0.3439(5) 1.1974(3) 0.0409(16) Uani 1 1 d . . . . .
H14A H 0.0346 0.3943 1.2237 0.061 Uiso 1 1 calc R U . . .
H14B H -0.0433 0.3243 1.1957 0.061 Uiso 1 1 calc R U . . .
H14C H 0.0646 0.2906 1.2081 0.061 Uiso 1 1 calc R U . . .
C15 C -0.0201(7) 0.4975(6) 1.1204(4) 0.056(2) Uani 1 1 d . . . . .
H15A H -0.0036 0.5397 1.1506 0.084 Uiso 1 1 calc R U . . .
H15B H -0.0059 0.5280 1.0871 0.084 Uiso 1 1 calc R U . . .
H15C H -0.0881 0.4824 1.1186 0.084 Uiso 1 1 calc R U . . .
C16 C 0.1786(5) 0.4280(5) 1.1334(3) 0.0384(15) Uani 1 1 d . . . . .
H16A H 0.1888 0.4762 1.1611 0.058 Uiso 1 1 calc R U . . .
H16B H 0.2214 0.3752 1.1423 0.058 Uiso 1 1 calc R U . . .
H16C H 0.1918 0.4542 1.0988 0.058 Uiso 1 1 calc R U . . .
C17 C -0.1133(7) 0.3821(9) 1.0007(4) 0.078(3) Uani 1 1 d . . . . .
H17A H -0.1775 0.3697 0.9838 0.117 Uiso 1 1 calc R U . . .
H17B H -0.1127 0.4426 1.0191 0.117 Uiso 1 1 calc R U . . .
H17C H -0.0681 0.3835 0.9733 0.117 Uiso 1 1 calc R U . . .
C18 C -0.1703(5) 0.2834(6) 1.0999(3) 0.0447(18) Uani 1 1 d . . . . .
H18A H -0.2334 0.2738 1.0809 0.067 Uiso 1 1 calc R U . . .
H18B H -0.1560 0.2318 1.1250 0.067 Uiso 1 1 calc R U . . .
H18C H -0.1697 0.3426 1.1196 0.067 Uiso 1 1 calc R U . . .
C19 C -0.0943(6) 0.1757(8) 1.0122(4) 0.065(3) Uani 1 1 d . . . . .
H19A H -0.1598 0.1718 0.9956 0.097 Uiso 1 1 calc R U . . .
H19B H -0.0499 0.1740 0.9843 0.097 Uiso 1 1 calc R U . . .
H19C H -0.0816 0.1226 1.0365 0.097 Uiso 1 1 calc R U . . .
C20 C 0.5222(6) 0.1210(5) 0.9390(4) 0.0489(19) Uani 1 1 d . . . . .
H20A H 0.5819 0.0903 0.9523 0.073 Uiso 1 1 calc R U . . .
H20B H 0.4735 0.1086 0.9635 0.073 Uiso 1 1 calc R U . . .
H20C H 0.5009 0.0964 0.9034 0.073 Uiso 1 1 calc R U . . .
C21 C 0.6397(6) 0.2639(6) 0.8882(4) 0.054(2) Uani 1 1 d . . . . .
H21A H 0.6973 0.2319 0.9035 0.082 Uiso 1 1 calc R U . . .
H21B H 0.6190 0.2364 0.8533 0.082 Uiso 1 1 calc R U . . .
H21C H 0.6536 0.3305 0.8837 0.082 Uiso 1 1 calc R U . . .
C22 C 0.5929(6) 0.2862(6) 1.0021(4) 0.053(2) Uani 1 1 d . . . . .
H22A H 0.6521 0.2516 1.0116 0.079 Uiso 1 1 calc R U . . .
H22B H 0.6064 0.3534 1.0022 0.079 Uiso 1 1 calc R U . . .
H22C H 0.5471 0.2724 1.0281 0.079 Uiso 1 1 calc R U . . .
C23 C 0.4560(6) 0.4352(6) 0.8209(3) 0.051(2) Uani 1 1 d . . . . .
H23A H 0.4587 0.5019 0.8122 0.077 Uiso 1 1 calc R U . . .
H23B H 0.5149 0.4046 0.8123 0.077 Uiso 1 1 calc R U . . .
H23C H 0.4015 0.4064 0.8000 0.077 Uiso 1 1 calc R U . . .
C24 C 0.5458(5) 0.4882(5) 0.9273(3) 0.0454(17) Uani 1 1 d . . . . .
H24A H 0.5423 0.5534 0.9152 0.068 Uiso 1 1 calc R U . . .
H24B H 0.5438 0.4861 0.9662 0.068 Uiso 1 1 calc R U . . .
H24C H 0.6055 0.4602 0.9178 0.068 Uiso 1 1 calc R U . . .
C25 C 0.3347(5) 0.4899(5) 0.9082(3) 0.0393(14) Uani 1 1 d . . . . .
H25A H 0.3429 0.5551 0.8976 0.059 Uiso 1 1 calc R U . . .
H25B H 0.2783 0.4636 0.8879 0.059 Uiso 1 1 calc R U . . .
H25C H 0.3265 0.4870 0.9466 0.059 Uiso 1 1 calc R U . . .
C26 C 0.3238(6) -0.0442(5) 0.9112(3) 0.0480(17) Uani 1 1 d . . . . .
H26A H 0.3328 -0.1104 0.9028 0.072 Uiso 1 1 calc R U . . .
H26B H 0.3832 -0.0186 0.9286 0.072 Uiso 1 1 calc R U . . .
H26C H 0.2731 -0.0382 0.9353 0.072 Uiso 1 1 calc R U . . .
C27 C 0.1847(7) -0.0449(6) 0.8170(3) 0.058(2) Uani 1 1 d . . . . .
H27A H 0.2013 -0.1111 0.8142 0.086 Uiso 1 1 calc R U . . .
H27B H 0.1312 -0.0383 0.8390 0.086 Uiso 1 1 calc R U . . .
H27C H 0.1666 -0.0197 0.7812 0.086 Uiso 1 1 calc R U . . .
C28 C 0.3874(7) -0.0019(6) 0.8036(4) 0.064(3) Uani 1 1 d . . . . .
H28A H 0.3964 -0.0695 0.8001 0.096 Uiso 1 1 calc R U . . .
H28B H 0.3697 0.0252 0.7682 0.096 Uiso 1 1 calc R U . . .
H28C H 0.4469 0.0267 0.8190 0.096 Uiso 1 1 calc R U . . .
C29 C 0.2094(7) 0.1769(7) 0.7403(3) 0.056(2) Uani 1 1 d . . . . .
H29A H 0.1598 0.2095 0.7176 0.084 Uiso 1 1 calc R U . . .
H29B H 0.2719 0.2027 0.7341 0.084 Uiso 1 1 calc R U . . .
H29C H 0.2079 0.1101 0.7316 0.084 Uiso 1 1 calc R U . . .
C30 C 0.0607(5) 0.1589(7) 0.8193(3) 0.054(2) Uani 1 1 d . . . . .
H30A H 0.0184 0.1934 0.7931 0.080 Uiso 1 1 calc R U . . .
H30B H 0.0530 0.0916 0.8130 0.080 Uiso 1 1 calc R U . . .
H30C H 0.0443 0.1739 0.8555 0.080 Uiso 1 1 calc R U . . .
C31 C 0.1923(6) 0.3221(5) 0.8242(3) 0.0453(17) Uani 1 1 d . . . . .
H31A H 0.1446 0.3530 0.7993 0.068 Uiso 1 1 calc R U . . .
H31B H 0.1789 0.3354 0.8610 0.068 Uiso 1 1 calc R U . . .
H31C H 0.2559 0.3456 0.8183 0.068 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Er1 N1 2.263(5) . ?
Er1 N2 2.265(5) . ?
Er1 C4 2.537(6) . ?
Er1 C7 2.540(7) . ?
Er1 C1 2.564(7) . ?
Er1 C3 2.581(7) . ?
Er1 C6 2.613(7) . ?
Er1 C5 2.616(6) . ?
Er1 C2 2.630(7) . ?
Er1 Si2 3.2163(19) . ?
Er1 Si3 3.2880(17) . ?
Er1 Er2 3.9580(3) . ?
Er2 N3 2.322(4) . ?
Er2 N4 2.328(5) . ?
Er2 C2 2.483(7) . ?
Er2 C6 2.502(7) . ?
Er2 C5 2.517(7) . ?
Er2 C3 2.535(7) . ?
Er2 C1 2.559(7) . ?
Er2 C7 2.566(7) . ?
Er2 C4 2.588(6) . ?
Er2 Si8 3.3524(17) . ?
Er2 Si5 3.3917(17) . ?
Er2 K1 3.8692(12) . ?
K1 N3 2.931(5) . ?
K1 N4 2.948(5) . ?
K1 C23 3.154(9) . ?
K1 C28 3.199(9) . ?
K1 C14 3.205(7) 4_665 ?
K1 C21 3.471(11) . ?
K1 C29 3.484(9) . ?
K1 Si5 3.485(3) . ?
K1 Si8 3.516(2) . ?
K1 Si6 3.667(2) . ?
K1 Si7 3.684(2) . ?
Si1 N1 1.718(6) . ?
Si1 C8 1.869(9) . ?
Si1 C9 1.878(11) . ?
Si1 C10 1.886(9) . ?
Si2 N1 1.703(6) . ?
Si2 C12 1.859(9) . ?
Si2 C11 1.869(7) . ?
Si2 C13 1.870(9) . ?
Si3 N2 1.684(6) . ?
Si3 C16 1.878(7) . ?
Si3 C14 1.881(7) . ?
Si3 C15 1.882(8) . ?
Si4 N2 1.729(5) . ?
Si4 C19 1.866(10) . ?
Si4 C18 1.875(7) . ?
Si4 C17 1.881(9) . ?
Si5 N3 1.726(5) . ?
Si5 C22 1.854(9) . ?
Si5 C20 1.877(8) . ?
Si5 C21 1.888(8) . ?
Si6 N3 1.720(5) . ?
Si6 C25 1.867(7) . ?
Si6 C23 1.877(6) . ?
Si6 C24 1.878(7) . ?
Si7 N4 1.713(6) . ?
Si7 C26 1.857(8) . ?
Si7 C27 1.872(8) . ?
Si7 C28 1.883(8) . ?
Si8 N4 1.717(6) . ?
Si8 C31 1.865(8) . ?
Si8 C29 1.878(7) . ?
Si8 C30 1.882(8) . ?
C1 C2 1.381(15) . ?
C1 C7 1.413(13) . ?
C2 C3 1.431(14) . ?
C3 C4 1.449(13) . ?
C4 C5 1.409(13) . ?
C5 C6 1.406(13) . ?
C6 C7 1.379(13) . ?
C14 K1 3.205(7) 4_566 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Er1 N2 105.67(18) . . ?
N1 Er1 C4 127.2(3) . . ?
N2 Er1 C4 112.3(3) . . ?
N1 Er1 C7 122.5(3) . . ?
N2 Er1 C7 110.0(3) . . ?
C4 Er1 C7 76.7(2) . . ?
N1 Er1 C1 96.0(2) . . ?
N2 Er1 C1 140.4(3) . . ?
C4 Er1 C1 77.1(2) . . ?
C7 Er1 C1 32.1(3) . . ?
N1 Er1 C3 99.1(2) . . ?
N2 Er1 C3 144.3(3) . . ?
C4 Er1 C3 32.9(3) . . ?
C7 Er1 C3 76.0(2) . . ?
C1 Er1 C3 59.0(3) . . ?
N1 Er1 C6 153.4(3) . . ?
N2 Er1 C6 92.5(2) . . ?
C4 Er1 C6 58.8(3) . . ?
C7 Er1 C6 31.0(3) . . ?
C1 Er1 C6 58.4(3) . . ?
C3 Er1 C6 75.1(2) . . ?
N1 Er1 C5 158.1(2) . . ?
N2 Er1 C5 93.1(2) . . ?
C4 Er1 C5 31.7(3) . . ?
C7 Er1 C5 58.4(3) . . ?
C1 Er1 C5 75.5(2) . . ?
C3 Er1 C5 59.1(3) . . ?
C6 Er1 C5 31.2(3) . . ?
N1 Er1 C2 87.7(2) . . ?
N2 Er1 C2 166.1(2) . . ?
C4 Er1 C2 60.0(3) . . ?
C7 Er1 C2 58.1(3) . . ?
C1 Er1 C2 30.8(3) . . ?
C3 Er1 C2 31.9(3) . . ?
C6 Er1 C2 73.7(2) . . ?
C5 Er1 C2 74.7(2) . . ?
N1 Er1 Si2 30.33(16) . . ?
N2 Er1 Si2 100.75(14) . . ?
C4 Er1 Si2 105.4(2) . . ?
C7 Er1 Si2 145.8(2) . . ?
C1 Er1 Si2 114.0(2) . . ?
C3 Er1 Si2 87.78(15) . . ?
C6 Er1 Si2 162.78(18) . . ?
C5 Er1 Si2 135.7(2) . . ?
C2 Er1 Si2 92.7(2) . . ?
N1 Er1 Si3 89.45(14) . . ?
N2 Er1 Si3 28.39(14) . . ?
C4 Er1 Si3 138.4(3) . . ?
C7 Er1 Si3 101.50(18) . . ?
C1 Er1 Si3 122.8(2) . . ?
C3 Er1 Si3 171.1(2) . . ?
C6 Er1 Si3 98.33(16) . . ?
C5 Er1 Si3 112.21(19) . . ?
C2 Er1 Si3 152.5(3) . . ?
Si2 Er1 Si3 98.55(5) . . ?
N1 Er1 Er2 125.61(12) . . ?
N2 Er1 Er2 128.49(13) . . ?
C4 Er1 Er2 39.91(14) . . ?
C7 Er1 Er2 39.42(16) . . ?
C1 Er1 Er2 39.36(16) . . ?
C3 Er1 Er2 38.89(15) . . ?
C6 Er1 Er2 38.29(16) . . ?
C5 Er1 Er2 38.63(15) . . ?
C2 Er1 Er2 37.95(16) . . ?
Si2 Er1 Er2 125.36(3) . . ?
Si3 Er1 Er2 135.89(3) . . ?
N3 Er2 N4 98.57(17) . . ?
N3 Er2 C2 110.0(3) . . ?
N4 Er2 C2 129.0(3) . . ?
N3 Er2 C6 114.5(3) . . ?
N4 Er2 C6 126.7(3) . . ?
C2 Er2 C6 78.2(3) . . ?
N3 Er2 C5 145.4(3) . . ?
N4 Er2 C5 100.7(2) . . ?
C2 Er2 C5 79.0(2) . . ?
C6 Er2 C5 32.5(3) . . ?
N3 Er2 C3 140.8(3) . . ?
N4 Er2 C3 102.3(2) . . ?
C2 Er2 C3 33.1(3) . . ?
C6 Er2 C3 77.9(2) . . ?
C5 Er2 C3 61.0(3) . . ?
N3 Er2 C1 93.1(2) . . ?
N4 Er2 C1 160.7(3) . . ?
C2 Er2 C1 31.7(3) . . ?
C6 Er2 C1 59.9(3) . . ?
C5 Er2 C1 77.4(2) . . ?
C3 Er2 C1 59.7(3) . . ?
N3 Er2 C7 95.4(2) . . ?
N4 Er2 C7 158.3(3) . . ?
C2 Er2 C7 59.7(3) . . ?
C6 Er2 C7 31.5(3) . . ?
C5 Er2 C7 59.4(3) . . ?
C3 Er2 C7 76.4(2) . . ?
C1 Er2 C7 32.0(3) . . ?
N3 Er2 C4 169.45(19) . . ?
N4 Er2 C4 91.78(18) . . ?
C2 Er2 C4 61.2(3) . . ?
C6 Er2 C4 59.6(3) . . ?
C5 Er2 C4 32.0(3) . . ?
C3 Er2 C4 32.8(3) . . ?
C1 Er2 C4 76.3(2) . . ?
C7 Er2 C4 75.3(2) . . ?
N3 Er2 Si8 100.38(13) . . ?
N4 Er2 Si8 28.55(14) . . ?
C2 Er2 Si8 146.7(3) . . ?
C6 Er2 Si8 101.9(2) . . ?
C5 Er2 Si8 83.88(16) . . ?
C3 Er2 Si8 113.7(2) . . ?
C1 Er2 Si8 160.90(19) . . ?
C7 Er2 Si8 131.9(2) . . ?
C4 Er2 Si8 89.68(17) . . ?
N3 Er2 Si5 27.94(13) . . ?
N4 Er2 Si5 99.98(13) . . ?
C2 Er2 Si5 88.5(2) . . ?
C6 Er2 Si5 128.8(3) . . ?
C5 Er2 Si5 159.36(19) . . ?
C3 Er2 Si5 114.8(2) . . ?
C1 Er2 Si5 83.38(16) . . ?
C7 Er2 Si5 100.1(2) . . ?
C4 Er2 Si5 147.6(2) . . ?
Si8 Er2 Si5 114.65(4) . . ?
N3 Er2 K1 49.06(12) . . ?
N4 Er2 K1 49.51(12) . . ?
C2 Er2 K1 138.18(17) . . ?
C6 Er2 K1 140.75(18) . . ?
C5 Er2 K1 140.59(15) . . ?
C3 Er2 K1 139.46(16) . . ?
C1 Er2 K1 139.82(15) . . ?
C7 Er2 K1 141.35(16) . . ?
C4 Er2 K1 141.26(14) . . ?
Si8 Er2 K1 57.74(4) . . ?
Si5 Er2 K1 56.92(4) . . ?
N3 K1 N4 73.66(13) . . ?
N3 K1 C23 58.14(15) . . ?
N4 K1 C23 113.05(18) . . ?
N3 K1 C28 114.57(19) . . ?
N4 K1 C28 57.63(17) . . ?
C23 K1 C28 170.5(2) . . ?
N3 K1 C14 155.12(17) . 4_665 ?
N4 K1 C14 129.81(17) . 4_665 ?
C23 K1 C14 109.48(18) . 4_665 ?
C28 K1 C14 79.58(19) . 4_665 ?
N3 K1 C21 55.49(16) . . ?
N4 K1 C21 117.10(18) . . ?
C23 K1 C21 70.7(2) . . ?
C28 K1 C21 111.0(3) . . ?
C14 K1 C21 101.0(2) 4_665 . ?
N3 K1 C29 115.50(17) . . ?
N4 K1 C29 54.92(16) . . ?
C23 K1 C29 107.1(2) . . ?
C28 K1 C29 69.7(3) . . ?
C14 K1 C29 88.2(2) 4_665 . ?
C21 K1 C29 170.76(19) . . ?
N3 K1 Si5 29.64(10) . . ?
N4 K1 Si5 86.70(11) . . ?
C23 K1 Si5 73.78(14) . . ?
C28 K1 Si5 102.7(2) . . ?
C14 K1 Si5 130.75(16) 4_665 . ?
C21 K1 Si5 31.49(14) . . ?
C29 K1 Si5 139.44(13) . . ?
N3 K1 Si8 85.78(10) . . ?
N4 K1 Si8 29.15(11) . . ?
C23 K1 Si8 99.96(17) . . ?
C28 K1 Si8 72.56(18) . . ?
C14 K1 Si8 118.73(15) 4_665 . ?
C21 K1 Si8 139.67(14) . . ?
C29 K1 Si8 31.13(13) . . ?
Si5 K1 Si8 108.36(5) . . ?
N3 K1 Si6 27.43(10) . . ?
N4 K1 Si6 91.22(10) . . ?
C23 K1 Si6 30.80(12) . . ?
C28 K1 Si6 141.34(16) . . ?
C14 K1 Si6 137.56(14) 4_665 . ?
C21 K1 Si6 60.33(14) . . ?
C29 K1 Si6 113.03(17) . . ?
Si5 K1 Si6 48.63(5) . . ?
Si8 K1 Si6 91.18(5) . . ?
N3 K1 Si7 91.16(10) . . ?
N4 K1 Si7 27.15(11) . . ?
C23 K1 Si7 139.82(15) . . ?
C28 K1 Si7 30.74(14) . . ?
C14 K1 Si7 108.10(14) 4_665 . ?
C21 K1 Si7 115.06(16) . . ?
C29 K1 Si7 60.48(15) . . ?
Si5 K1 Si7 92.09(6) . . ?
Si8 K1 Si7 48.30(5) . . ?
Si6 K1 Si7 114.33(5) . . ?
N3 K1 Er2 36.76(9) . . ?
N4 K1 Er2 36.90(9) . . ?
C23 K1 Er2 85.00(12) . . ?
C28 K1 Er2 85.83(14) . . ?
C14 K1 Er2 165.27(14) 4_665 . ?
C21 K1 Er2 86.02(14) . . ?
C29 K1 Er2 84.84(13) . . ?
Si5 K1 Er2 54.62(3) . . ?
Si8 K1 Er2 53.74(3) . . ?
Si6 K1 Er2 57.13(3) . . ?
Si7 K1 Er2 57.20(3) . . ?
N1 Si1 C8 113.8(3) . . ?
N1 Si1 C9 114.1(5) . . ?
C8 Si1 C9 104.6(5) . . ?
N1 Si1 C10 113.4(4) . . ?
C8 Si1 C10 106.0(5) . . ?
C9 Si1 C10 103.8(5) . . ?
N1 Si2 C12 114.5(4) . . ?
N1 Si2 C11 114.4(4) . . ?
C12 Si2 C11 108.5(4) . . ?
N1 Si2 C13 109.4(3) . . ?
C12 Si2 C13 104.6(5) . . ?
C11 Si2 C13 104.4(4) . . ?
N1 Si2 Er1 42.15(18) . . ?
C12 Si2 Er1 115.5(3) . . ?
C11 Si2 Er1 135.8(3) . . ?
C13 Si2 Er1 68.6(3) . . ?
N2 Si3 C16 109.3(3) . . ?
N2 Si3 C14 112.5(3) . . ?
C16 Si3 C14 109.7(3) . . ?
N2 Si3 C15 117.4(4) . . ?
C16 Si3 C15 104.0(4) . . ?
C14 Si3 C15 103.5(4) . . ?
N2 Si3 Er1 39.75(16) . . ?
C16 Si3 Er1 72.8(2) . . ?
C14 Si3 Er1 111.9(2) . . ?
C15 Si3 Er1 143.5(3) . . ?
N2 Si4 C19 114.8(4) . . ?
N2 Si4 C18 111.2(3) . . ?
C19 Si4 C18 104.9(4) . . ?
N2 Si4 C17 112.4(4) . . ?
C19 Si4 C17 105.2(6) . . ?
C18 Si4 C17 107.7(5) . . ?
N3 Si5 C22 115.9(3) . . ?
N3 Si5 C20 109.5(3) . . ?
C22 Si5 C20 105.3(4) . . ?
N3 Si5 C21 113.2(4) . . ?
C22 Si5 C21 107.0(5) . . ?
C20 Si5 C21 105.0(4) . . ?
N3 Si5 Er2 39.06(16) . . ?
C22 Si5 Er2 109.5(3) . . ?
C20 Si5 Er2 75.1(3) . . ?
C21 Si5 Er2 142.0(3) . . ?
N3 Si5 K1 57.09(17) . . ?
C22 Si5 K1 171.5(3) . . ?
C20 Si5 K1 82.3(3) . . ?
C21 Si5 K1 73.8(3) . . ?
Er2 Si5 K1 68.46(4) . . ?
N3 Si6 C25 114.3(3) . . ?
N3 Si6 C23 110.8(3) . . ?
C25 Si6 C23 106.6(4) . . ?
N3 Si6 C24 115.7(3) . . ?
C25 Si6 C24 105.0(4) . . ?
C23 Si6 C24 103.5(4) . . ?
N3 Si6 K1 51.72(16) . . ?
C25 Si6 K1 123.7(3) . . ?
C23 Si6 K1 59.3(3) . . ?
C24 Si6 K1 130.9(3) . . ?
N4 Si7 C26 115.6(3) . . ?
N4 Si7 C27 114.7(4) . . ?
C26 Si7 C27 103.7(4) . . ?
N4 Si7 C28 111.4(3) . . ?
C26 Si7 C28 105.9(4) . . ?
C27 Si7 C28 104.6(4) . . ?
N4 Si7 K1 51.76(17) . . ?
C26 Si7 K1 121.7(3) . . ?
C27 Si7 K1 134.3(3) . . ?
C28 Si7 K1 60.3(3) . . ?
N4 Si8 C31 109.7(3) . . ?
N4 Si8 C29 113.2(4) . . ?
C31 Si8 C29 105.5(4) . . ?
N4 Si8 C30 115.3(3) . . ?
C31 Si8 C30 105.2(4) . . ?
C29 Si8 C30 107.1(4) . . ?
N4 Si8 Er2 40.39(16) . . ?
C31 Si8 Er2 73.4(2) . . ?
C29 Si8 Er2 141.9(3) . . ?
C30 Si8 Er2 109.8(3) . . ?
N4 Si8 K1 56.77(17) . . ?
C31 Si8 K1 83.8(2) . . ?
C29 Si8 K1 73.5(3) . . ?
C30 Si8 K1 170.1(3) . . ?
Er2 Si8 K1 68.53(4) . . ?
Si2 N1 Si1 119.1(3) . . ?
Si2 N1 Er1 107.5(3) . . ?
Si1 N1 Er1 133.2(3) . . ?
Si3 N2 Si4 119.5(3) . . ?
Si3 N2 Er1 111.9(3) . . ?
Si4 N2 Er1 128.6(3) . . ?
Si6 N3 Si5 117.7(3) . . ?
Si6 N3 Er2 125.8(3) . . ?
Si5 N3 Er2 113.0(2) . . ?
Si6 N3 K1 100.8(2) . . ?
Si5 N3 K1 93.3(2) . . ?
Er2 N3 K1 94.17(16) . . ?
Si7 N4 Si8 118.6(3) . . ?
Si7 N4 Er2 126.5(3) . . ?
Si8 N4 Er2 111.1(3) . . ?
Si7 N4 K1 101.1(2) . . ?
Si8 N4 K1 94.1(2) . . ?
Er2 N4 K1 93.59(16) . . ?
C2 C1 C7 128.1(7) . . ?
C2 C1 Er2 71.1(4) . . ?
C7 C1 Er2 74.3(4) . . ?
C2 C1 Er1 77.2(4) . . ?
C7 C1 Er1 73.0(4) . . ?
Er2 C1 Er1 101.2(2) . . ?
C1 C2 C3 128.8(7) . . ?
C1 C2 Er2 77.1(5) . . ?
C3 C2 Er2 75.4(4) . . ?
C1 C2 Er1 72.0(4) . . ?
C3 C2 Er1 72.2(4) . . ?
Er2 C2 Er1 101.4(3) . . ?
C2 C3 C4 127.5(7) . . ?
C2 C3 Er2 71.5(4) . . ?
C4 C3 Er2 75.6(4) . . ?
C2 C3 Er1 75.9(4) . . ?
C4 C3 Er1 71.9(4) . . ?
Er2 C3 Er1 101.4(2) . . ?
C5 C4 C3 127.6(6) . . ?
C5 C4 Er1 77.2(4) . . ?
C3 C4 Er1 75.2(4) . . ?
C5 C4 Er2 71.2(4) . . ?
C3 C4 Er2 71.6(4) . . ?
Er1 C4 Er2 101.1(2) . . ?
C6 C5 C4 128.1(7) . . ?
C6 C5 Er2 73.2(4) . . ?
C4 C5 Er2 76.8(4) . . ?
C6 C5 Er1 74.3(4) . . ?
C4 C5 Er1 71.1(4) . . ?
Er2 C5 Er1 100.9(2) . . ?
C7 C6 C5 129.3(8) . . ?
C7 C6 Er2 76.8(4) . . ?
C5 C6 Er2 74.3(4) . . ?
C7 C6 Er1 71.6(4) . . ?
C5 C6 Er1 74.5(4) . . ?
Er2 C6 Er1 101.4(3) . . ?
C6 C7 C1 129.5(7) . . ?
C6 C7 Er1 77.4(5) . . ?
C1 C7 Er1 74.9(4) . . ?
C6 C7 Er2 71.7(4) . . ?
C1 C7 Er2 73.7(4) . . ?
Er1 C7 Er2 101.6(3) . . ?
Si3 C14 K1 169.0(4) . 4_566 ?
Si5 C21 K1 74.7(3) . . ?
Si6 C23 K1 89.9(3) . . ?
Si7 C28 K1 89.0(3) . . ?
Si8 C29 K1 75.4(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C12 Si2 N1 Si1 -73.9(5) . . . . ?
C11 Si2 N1 Si1 52.4(5) . . . . ?
C13 Si2 N1 Si1 169.1(4) . . . . ?
Er1 Si2 N1 Si1 -175.5(5) . . . . ?
C12 Si2 N1 Er1 101.6(5) . . . . ?
C11 Si2 N1 Er1 -132.1(4) . . . . ?
C13 Si2 N1 Er1 -15.4(4) . . . . ?
C8 Si1 N1 Si2 148.5(5) . . . . ?
C9 Si1 N1 Si2 28.4(5) . . . . ?
C10 Si1 N1 Si2 -90.2(5) . . . . ?
C8 Si1 N1 Er1 -25.6(6) . . . . ?
C9 Si1 N1 Er1 -145.7(5) . . . . ?
C10 Si1 N1 Er1 95.7(5) . . . . ?
C16 Si3 N2 Si4 -153.5(4) . . . . ?
C14 Si3 N2 Si4 84.4(4) . . . . ?
C15 Si3 N2 Si4 -35.5(5) . . . . ?
Er1 Si3 N2 Si4 -178.0(5) . . . . ?
C16 Si3 N2 Er1 24.5(4) . . . . ?
C14 Si3 N2 Er1 -97.6(3) . . . . ?
C15 Si3 N2 Er1 142.5(4) . . . . ?
C19 Si4 N2 Si3 -165.0(4) . . . . ?
C18 Si4 N2 Si3 -46.1(5) . . . . ?
C17 Si4 N2 Si3 74.8(6) . . . . ?
C19 Si4 N2 Er1 17.4(6) . . . . ?
C18 Si4 N2 Er1 136.3(4) . . . . ?
C17 Si4 N2 Er1 -102.8(5) . . . . ?
C25 Si6 N3 Si5 -145.6(3) . . . . ?
C23 Si6 N3 Si5 93.9(4) . . . . ?
C24 Si6 N3 Si5 -23.5(4) . . . . ?
K1 Si6 N3 Si5 99.6(3) . . . . ?
C25 Si6 N3 Er2 11.5(4) . . . . ?
C23 Si6 N3 Er2 -108.9(4) . . . . ?
C24 Si6 N3 Er2 133.7(4) . . . . ?
K1 Si6 N3 Er2 -103.3(3) . . . . ?
C25 Si6 N3 K1 114.8(3) . . . . ?
C23 Si6 N3 K1 -5.7(4) . . . . ?
C24 Si6 N3 K1 -123.1(3) . . . . ?
C22 Si5 N3 Si6 70.5(5) . . . . ?
C20 Si5 N3 Si6 -170.6(4) . . . . ?
C21 Si5 N3 Si6 -53.7(4) . . . . ?
Er2 Si5 N3 Si6 160.0(4) . . . . ?
K1 Si5 N3 Si6 -104.1(3) . . . . ?
C22 Si5 N3 Er2 -89.5(4) . . . . ?
C20 Si5 N3 Er2 29.4(4) . . . . ?
C21 Si5 N3 Er2 146.3(3) . . . . ?
K1 Si5 N3 Er2 95.9(2) . . . . ?
C22 Si5 N3 K1 174.6(3) . . . . ?
C20 Si5 N3 K1 -66.5(3) . . . . ?
C21 Si5 N3 K1 50.3(4) . . . . ?
Er2 Si5 N3 K1 -95.9(2) . . . . ?
C26 Si7 N4 Si8 -147.7(4) . . . . ?
C27 Si7 N4 Si8 -27.1(5) . . . . ?
C28 Si7 N4 Si8 91.4(5) . . . . ?
K1 Si7 N4 Si8 100.9(3) . . . . ?
C26 Si7 N4 Er2 8.4(5) . . . . ?
C27 Si7 N4 Er2 129.0(4) . . . . ?
C28 Si7 N4 Er2 -112.5(5) . . . . ?
K1 Si7 N4 Er2 -103.0(3) . . . . ?
C26 Si7 N4 K1 111.4(3) . . . . ?
C27 Si7 N4 K1 -128.0(3) . . . . ?
C28 Si7 N4 K1 -9.5(4) . . . . ?
C31 Si8 N4 Si7 -173.2(4) . . . . ?
C29 Si8 N4 Si7 -55.6(5) . . . . ?
C30 Si8 N4 Si7 68.3(5) . . . . ?
Er2 Si8 N4 Si7 159.6(5) . . . . ?
K1 Si8 N4 Si7 -105.0(3) . . . . ?
C31 Si8 N4 Er2 27.2(4) . . . . ?
C29 Si8 N4 Er2 144.8(4) . . . . ?
C30 Si8 N4 Er2 -91.3(4) . . . . ?
K1 Si8 N4 Er2 95.4(2) . . . . ?
C31 Si8 N4 K1 -68.2(3) . . . . ?
C29 Si8 N4 K1 49.4(4) . . . . ?
C30 Si8 N4 K1 173.3(3) . . . . ?
Er2 Si8 N4 K1 -95.4(2) . . . . ?
C7 C1 C2 C3 -8.3(12) . . . . ?
Er2 C1 C2 C3 -59.0(7) . . . . ?
Er1 C1 C2 C3 47.7(7) . . . . ?
C7 C1 C2 Er2 50.7(7) . . . . ?
Er1 C1 C2 Er2 106.7(2) . . . . ?
C7 C1 C2 Er1 -56.0(7) . . . . ?
Er2 C1 C2 Er1 -106.7(2) . . . . ?
C1 C2 C3 C4 5.8(12) . . . . ?
Er2 C2 C3 C4 -54.0(6) . . . . ?
Er1 C2 C3 C4 53.4(6) . . . . ?
C1 C2 C3 Er2 59.7(7) . . . . ?
Er1 C2 C3 Er2 107.3(2) . . . . ?
C1 C2 C3 Er1 -47.6(7) . . . . ?
Er2 C2 C3 Er1 -107.3(2) . . . . ?
C2 C3 C4 C5 5.6(11) . . . . ?
Er2 C3 C4 C5 -46.7(6) . . . . ?
Er1 C3 C4 C5 60.6(6) . . . . ?
C2 C3 C4 Er1 -55.0(7) . . . . ?
Er2 C3 C4 Er1 -107.3(2) . . . . ?
C2 C3 C4 Er2 52.4(6) . . . . ?
Er1 C3 C4 Er2 107.3(2) . . . . ?
C3 C4 C5 C6 -8.9(11) . . . . ?
Er1 C4 C5 C6 50.8(7) . . . . ?
Er2 C4 C5 C6 -55.8(6) . . . . ?
C3 C4 C5 Er2 46.9(6) . . . . ?
Er1 C4 C5 Er2 106.6(2) . . . . ?
C3 C4 C5 Er1 -59.7(6) . . . . ?
Er2 C4 C5 Er1 -106.6(2) . . . . ?
C4 C5 C6 C7 -0.2(12) . . . . ?
Er2 C5 C6 C7 -57.5(7) . . . . ?
Er1 C5 C6 C7 49.4(7) . . . . ?
C4 C5 C6 Er2 57.3(7) . . . . ?
Er1 C5 C6 Er2 106.9(2) . . . . ?
C4 C5 C6 Er1 -49.6(6) . . . . ?
Er2 C5 C6 Er1 -106.9(2) . . . . ?
C5 C6 C7 C1 7.5(13) . . . . ?
Er2 C6 C7 C1 -49.0(7) . . . . ?
Er1 C6 C7 C1 58.0(7) . . . . ?
C5 C6 C7 Er1 -50.4(7) . . . . ?
Er2 C6 C7 Er1 -107.0(2) . . . . ?
C5 C6 C7 Er2 56.5(7) . . . . ?
Er1 C6 C7 Er2 107.0(2) . . . . ?
C2 C1 C7 C6 -1.3(12) . . . . ?
Er2 C1 C7 C6 48.3(7) . . . . ?
Er1 C1 C7 C6 -59.0(7) . . . . ?
C2 C1 C7 Er1 57.7(7) . . . . ?
Er2 C1 C7 Er1 107.3(2) . . . . ?
C2 C1 C7 Er2 -49.6(7) . . . . ?
Er1 C1 C7 Er2 -107.3(2) . . . . ?
N2 Si3 C14 K1 -87(2) . . . 4_566 ?
C16 Si3 C14 K1 151.1(19) . . . 4_566 ?
C15 Si3 C14 K1 41(2) . . . 4_566 ?
Er1 Si3 C14 K1 -130.1(19) . . . 4_566 ?
N3 Si5 C21 K1 -42.3(3) . . . . ?
C22 Si5 C21 K1 -171.2(3) . . . . ?
C20 Si5 C21 K1 77.2(3) . . . . ?
Er2 Si5 C21 K1 -7.7(4) . . . . ?
N3 Si6 C23 K1 5.2(3) . . . . ?
C25 Si6 C23 K1 -119.7(3) . . . . ?
C24 Si6 C23 K1 129.8(3) . . . . ?
N4 Si7 C28 K1 8.6(4) . . . . ?
C26 Si7 C28 K1 -117.8(3) . . . . ?
C27 Si7 C28 K1 133.0(3) . . . . ?
N4 Si8 C29 K1 -41.5(3) . . . . ?
C31 Si8 C29 K1 78.6(3) . . . . ?
C30 Si8 C29 K1 -169.7(3) . . . . ?
Er2 Si8 C29 K1 -4.2(5) . . . . ?

_refine_diff_density_max         3.653
_refine_diff_density_min         -2.021
_refine_diff_density_rms         0.173

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mm422
_database_code_depnum_ccdc_archive 'CCDC 1454171'
_audit_update_record             
;
2016-02-18 deposited with the CCDC.
2016-08-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H95 Er2 K N4 O2 Si8'
_chemical_formula_weight         1250.52

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   20.1042(7)
_cell_length_b                   18.7574(6)
_cell_length_c                   16.5696(6)
_cell_angle_alpha                90
_cell_angle_beta                 107.8505(17)
_cell_angle_gamma                90
_cell_volume                     5947.6(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9910
_cell_measurement_theta_min      2.58
_cell_measurement_theta_max      28.38

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      n/a
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_F_000             2560
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.677
_exptl_crystal_size_mid          0.530
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    3.066
_shelx_estimated_absorpt_T_min   0.231
_shelx_estimated_absorpt_T_max   0.579
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4772
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'

_exptl_special_details           
; 
 Data collection is performed with three batch runs at phi = 0.00 deg 
 (650 frames), at phi = 120.00 deg (650 frames), and at phi = 240.00 deg 
 (650 frames). 
 Frame width = 0.30 deg in omega. 
 Data is merged, corrected for decay (if any), and treated with multi-scan 
 absorption corrections (if required). All symmetry-equivalent reflections 
 are merged for centrosymmetric data. 
 Friedel pairs are not merged for noncentrosymmetric data. 
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23004
_diffrn_reflns_av_unetI/netI     0.0285
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.520
_diffrn_reflns_theta_max         28.381
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measured_fraction_theta_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_point_group_measured_fraction_full 0.981
_reflns_number_total             7321
_reflns_number_gt                6576
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'APEX II, Bruker (2009)'
_computing_cell_refinement       'APEX II, Bruker (2009)'
_computing_data_reduction        'XPREP, Bruker (2009)'
_computing_structure_solution    'SHELXS-03 (Sheldrick, 2003)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'SHELXTL, Bruker (2004)'
_computing_publication_material  'SHELXTL, Bruker (2004)'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0827P)²+27.3690P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7321
_refine_ls_number_parameters     286
_refine_ls_number_restraints     657
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0384
_refine_ls_wR_factor_ref         0.1325
_refine_ls_wR_factor_gt          0.1251
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Er1 Er 0.5000 0.28621(2) 0.2500 0.02486(9) Uani 1 2 d S TU P A .
Er2 Er 0.5000 0.49787(2) 0.2500 0.02297(9) Uani 1 2 d S TU P . .
K1 K 0.5000 0.07739(7) 0.2500 0.0410(3) Uani 1 2 d S TU P A .
Si1 Si 0.41306(7) 0.18800(7) 0.07984(8) 0.0343(3) Uani 1 1 d . U . . .
Si2 Si 0.56302(7) 0.19393(7) 0.09638(9) 0.0340(3) Uani 1 1 d . U . . .
Si3 Si 0.61326(8) 0.61633(7) 0.23005(9) 0.0366(3) Uani 1 1 d . U . . .
Si4 Si 0.65568(7) 0.56301(7) 0.40593(9) 0.0344(3) Uani 1 1 d . U . . .
O1 O 0.5917(3) -0.0304(2) 0.2845(3) 0.0620(12) Uani 1 1 d . U . . .
N1 N 0.4963(2) 0.20846(18) 0.1398(2) 0.0274(7) Uani 1 1 d . U . . .
N2 N 0.59579(19) 0.56619(18) 0.3066(2) 0.0276(7) Uani 1 1 d . U . . .
C1 C 0.4864(8) 0.3932(5) 0.1475(6) 0.0280(19) Uani 0.5 1 d D U P A -1
H1A H 0.4770 0.3990 0.0881 0.034 Uiso 0.5 1 calc R U P A -1
C2 C 0.4269(6) 0.3875(5) 0.1758(8) 0.0286(19) Uani 0.5 1 d D U P A -1
H2A H 0.3834 0.3824 0.1327 0.034 Uiso 0.5 1 calc R U P A -1
C3 C 0.4239(6) 0.3885(5) 0.2597(10) 0.0278(18) Uani 0.5 1 d D U P A -1
H3A H 0.3785 0.3849 0.2657 0.033 Uiso 0.5 1 calc R U P A -1
C4 C 0.4800(8) 0.3942(5) 0.3364(8) 0.0288(19) Uani 0.5 1 d D U P A -1
H4A H 0.4669 0.4008 0.3864 0.035 Uiso 0.5 1 calc R U P A -1
C5 C 0.5534(7) 0.3913(4) 0.3482(7) 0.0298(19) Uani 0.5 1 d D U P A -1
H5A H 0.5829 0.3928 0.4053 0.036 Uiso 0.5 1 calc R U P A -1
C6 C 0.5876(5) 0.3864(5) 0.2849(9) 0.0293(18) Uani 0.5 1 d D U P A -1
H6A H 0.6366 0.3787 0.3049 0.035 Uiso 0.5 1 calc R U P A -1
C7 C 0.5575(7) 0.3914(5) 0.1954(9) 0.0305(18) Uani 0.5 1 d D U P A -1
H7A H 0.5897 0.3940 0.1639 0.037 Uiso 0.5 1 calc R U P A -1
C8 C 0.3540(3) 0.1902(4) 0.1483(4) 0.0516(14) Uani 1 1 d . U . . .
H8A H 0.3114 0.1631 0.1209 0.077 Uiso 1 1 calc R U . . .
H8B H 0.3417 0.2397 0.1563 0.077 Uiso 1 1 calc R U . . .
H8C H 0.3781 0.1689 0.2036 0.077 Uiso 1 1 calc R U . . .
C9 C 0.3705(3) 0.2492(3) -0.0106(4) 0.0511(13) Uani 1 1 d . U . . .
H9A H 0.3452 0.2210 -0.0603 0.077 Uiso 1 1 calc R U . . .
H9B H 0.4064 0.2779 -0.0242 0.077 Uiso 1 1 calc R U . . .
H9C H 0.3378 0.2808 0.0054 0.077 Uiso 1 1 calc R U . . .
C10 C 0.4062(4) 0.0955(3) 0.0331(4) 0.0559(15) Uani 1 1 d . U . . .
H10A H 0.3698 0.0950 -0.0221 0.084 Uiso 1 1 calc R U . A .
H10B H 0.3940 0.0616 0.0713 0.084 Uiso 1 1 calc R U . . .
H10C H 0.4511 0.0820 0.0258 0.084 Uiso 1 1 calc R U . . .
C11 C 0.5374(4) 0.2099(4) -0.0216(4) 0.0559(15) Uani 1 1 d . U . . .
H11A H 0.5203 0.2588 -0.0341 0.084 Uiso 1 1 calc R U . . .
H11B H 0.5005 0.1763 -0.0508 0.084 Uiso 1 1 calc R U . . .
H11C H 0.5782 0.2027 -0.0413 0.084 Uiso 1 1 calc R U . . .
C12 C 0.6413(3) 0.2511(3) 0.1389(4) 0.0477(12) Uani 1 1 d . U . . .
H12A H 0.6589 0.2460 0.2007 0.072 Uiso 1 1 calc R U . . .
H12B H 0.6287 0.3010 0.1243 0.072 Uiso 1 1 calc R U . . .
H12C H 0.6776 0.2365 0.1141 0.072 Uiso 1 1 calc R U . . .
C13 C 0.5958(4) 0.0993(3) 0.1134(4) 0.0517(14) Uani 1 1 d . U . . .
H13A H 0.6101 0.0882 0.1742 0.077 Uiso 1 1 calc R U . A .
H13B H 0.6358 0.0938 0.0920 0.077 Uiso 1 1 calc R U . . .
H13C H 0.5584 0.0667 0.0830 0.077 Uiso 1 1 calc R U . . .
C14 C 0.5493(3) 0.5932(3) 0.1252(3) 0.0401(10) Uani 1 1 d . U . . .
H14A H 0.5602 0.6205 0.0804 0.060 Uiso 1 1 calc R U . . .
H14B H 0.5019 0.6049 0.1257 0.060 Uiso 1 1 calc R U . . .
H14C H 0.5522 0.5421 0.1144 0.060 Uiso 1 1 calc R U . . .
C15 C 0.6039(6) 0.7140(3) 0.2442(5) 0.083(3) Uani 1 1 d . U . . .
H15A H 0.6438 0.7390 0.2352 0.124 Uiso 1 1 calc R U . . .
H15B H 0.6025 0.7233 0.3019 0.124 Uiso 1 1 calc R U . . .
H15C H 0.5606 0.7309 0.2031 0.124 Uiso 1 1 calc R U . . .
C16 C 0.7020(4) 0.6003(5) 0.2175(6) 0.081(2) Uani 1 1 d . U . . .
H16A H 0.7241 0.6461 0.2132 0.121 Uiso 1 1 calc R U . . .
H16B H 0.6970 0.5724 0.1659 0.121 Uiso 1 1 calc R U . . .
H16C H 0.7312 0.5740 0.2668 0.121 Uiso 1 1 calc R U . . .
C17 C 0.7003(4) 0.6497(3) 0.4417(4) 0.0566(15) Uani 1 1 d . U . . .
H17A H 0.6653 0.6866 0.4396 0.085 Uiso 1 1 calc R U . . .
H17B H 0.7278 0.6631 0.4044 0.085 Uiso 1 1 calc R U . . .
H17C H 0.7314 0.6450 0.5000 0.085 Uiso 1 1 calc R U . . .
C18 C 0.7276(3) 0.4974(4) 0.4133(5) 0.0628(18) Uani 1 1 d . U . . .
H18A H 0.7499 0.5083 0.3698 0.094 Uiso 1 1 calc R U . . .
H18B H 0.7082 0.4491 0.4043 0.094 Uiso 1 1 calc R U . . .
H18C H 0.7623 0.5005 0.4695 0.094 Uiso 1 1 calc R U . . .
C19 C 0.6178(3) 0.5381(4) 0.4919(4) 0.0551(15) Uani 1 1 d . U . . .
H19A H 0.5795 0.5707 0.4909 0.083 Uiso 1 1 calc R U . . .
H19B H 0.6541 0.5414 0.5470 0.083 Uiso 1 1 calc R U . . .
H19C H 0.6000 0.4892 0.4829 0.083 Uiso 1 1 calc R U . . .
C20 C 0.5817(5) -0.0817(4) 0.2182(5) 0.0682(18) Uani 1 1 d . U . . .
H20A H 0.5517 -0.0621 0.1637 0.082 Uiso 1 1 calc R U . A .
H20B H 0.5597 -0.1255 0.2316 0.082 Uiso 1 1 calc R U . . .
C21 C 0.6527(5) -0.0969(4) 0.2140(5) 0.0690(18) Uani 1 1 d . U . . .
H21A H 0.6680 -0.0601 0.1807 0.083 Uiso 1 1 calc R U . . .
H21B H 0.6549 -0.1443 0.1887 0.083 Uiso 1 1 calc R U . . .
C22 C 0.6960(5) -0.0949(5) 0.3055(6) 0.087(3) Uani 1 1 d . U . . .
H22A H 0.7442 -0.0787 0.3118 0.104 Uiso 1 1 calc R U . . .
H22B H 0.6979 -0.1424 0.3322 0.104 Uiso 1 1 calc R U . . .
C23 C 0.6581(5) -0.0421(5) 0.3439(5) 0.086(3) Uani 1 1 d . U . . .
H23A H 0.6531 -0.0611 0.3974 0.104 Uiso 1 1 calc R U . . .
H23B H 0.6846 0.0032 0.3565 0.104 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Er1 N1 2.321(4) 2_655 ?
Er1 N1 2.321(4) . ?
Er1 C2 2.485(9) . ?
Er1 C3 2.490(9) . ?
Er1 C6 2.518(9) . ?
Er1 C5 2.572(9) . ?
Er1 C4 2.582(9) . ?
Er1 C7 2.587(9) . ?
Er1 C1 2.589(10) . ?
Er1 Si1 3.3729(13) . ?
Er1 Si1 3.3730(13) 2_655 ?
Er1 K1 3.9169(14) . ?
Er2 N2 2.263(4) 2_655 ?
Er2 N2 2.264(4) . ?
Er2 C4 2.520(9) . ?
Er2 C1 2.555(9) . ?
Er2 C5 2.594(10) . ?
Er2 C3 2.594(9) . ?
Er2 C7 2.604(9) . ?
Er2 C2 2.617(9) . ?
Er2 C6 2.681(9) . ?
Er2 Si3 3.2700(12) . ?
Er2 Si3 3.2700(12) 2_655 ?
K1 O1 2.676(4) 2_655 ?
K1 O1 2.677(4) . ?
K1 N1 3.050(4) 2_655 ?
K1 N1 3.050(4) . ?
K1 C13 3.415(6) . ?
K1 C13 3.415(6) 2_655 ?
K1 Si1 3.5053(16) . ?
K1 Si1 3.5053(16) 2_655 ?
K1 C20 3.522(7) . ?
K1 C20 3.522(7) 2_655 ?
K1 C10 3.526(7) 2_655 ?
K1 C10 3.526(7) . ?
Si1 N1 1.708(4) . ?
Si1 C9 1.874(6) . ?
Si1 C8 1.878(6) . ?
Si1 C10 1.887(6) . ?
Si2 N1 1.726(4) . ?
Si2 C12 1.856(6) . ?
Si2 C13 1.884(6) . ?
Si2 C11 1.887(6) . ?
Si3 N2 1.700(4) . ?
Si3 C15 1.863(7) . ?
Si3 C14 1.869(6) . ?
Si3 C16 1.884(7) . ?
Si4 N2 1.716(4) . ?
Si4 C17 1.864(6) . ?
Si4 C19 1.869(6) . ?
Si4 C18 1.874(6) . ?
O1 C23 1.413(9) . ?
O1 C20 1.427(8) . ?
C1 C7 1.408(10) . ?
C1 C2 1.415(10) . ?
C2 C3 1.410(10) . ?
C3 C4 1.421(11) . ?
C4 C5 1.429(11) . ?
C5 C6 1.423(11) . ?
C6 C7 1.423(11) . ?
C20 C21 1.478(12) . ?
C21 C22 1.501(12) . ?
C22 C23 1.504(11) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Er1 N1 102.12(17) 2_655 . ?
N1 Er1 C2 137.8(4) 2_655 . ?
N1 Er1 C2 102.7(3) . . ?
N1 Er1 C3 107.8(3) 2_655 . ?
N1 Er1 C3 131.5(4) . . ?
C2 Er1 C3 32.9(2) . . ?
N1 Er1 C6 115.9(3) 2_655 . ?
N1 Er1 C6 120.1(3) . . ?
C2 Er1 C6 79.0(3) . . ?
C3 Er1 C6 79.1(3) . . ?
N1 Er1 C5 94.4(3) 2_655 . ?
N1 Er1 C5 152.4(3) . . ?
C2 Er1 C5 78.2(3) . . ?
C3 Er1 C5 60.9(3) . . ?
C6 Er1 C5 32.4(2) . . ?
N1 Er1 C4 91.7(2) 2_655 . ?
N1 Er1 C4 163.1(3) . . ?
C2 Er1 C4 60.4(3) . . ?
C3 Er1 C4 32.5(2) . . ?
C6 Er1 C4 60.3(3) . . ?
C5 Er1 C4 32.2(2) . . ?
N1 Er1 C7 147.7(4) 2_655 . ?
N1 Er1 C7 96.6(3) . . ?
C2 Er1 C7 60.2(3) . . ?
C3 Er1 C7 77.5(3) . . ?
C6 Er1 C7 32.3(2) . . ?
C5 Er1 C7 59.5(3) . . ?
C4 Er1 C7 76.0(3) . . ?
N1 Er1 C1 167.2(3) 2_655 . ?
N1 Er1 C1 90.0(2) . . ?
C2 Er1 C1 32.3(2) . . ?
C3 Er1 C1 60.1(3) . . ?
C6 Er1 C1 59.9(3) . . ?
C5 Er1 C1 76.2(3) . . ?
C4 Er1 C1 75.7(3) . . ?
C7 Er1 C1 31.6(2) . . ?
N1 Er1 Si1 101.41(9) 2_655 . ?
N1 Er1 Si1 27.82(10) . . ?
C2 Er1 Si1 85.9(2) . . ?
C3 Er1 Si1 107.7(3) . . ?
C6 Er1 Si1 138.3(3) . . ?
C5 Er1 Si1 163.0(2) . . ?
C4 Er1 Si1 139.7(4) . . ?
C7 Er1 Si1 107.3(3) . . ?
C1 Er1 Si1 87.2(2) . . ?
N1 Er1 Si1 27.82(10) 2_655 2_655 ?
N1 Er1 Si1 101.41(9) . 2_655 ?
C2 Er1 Si1 155.2(3) . 2_655 ?
C3 Er1 Si1 122.6(3) . 2_655 ?
C6 Er1 Si1 93.9(3) . 2_655 ?
C5 Er1 Si1 83.2(2) . 2_655 ?
C4 Er1 Si1 95.4(3) . 2_655 ?
C7 Er1 Si1 122.4(3) . 2_655 ?
C1 Er1 Si1 153.6(3) . 2_655 ?
Si1 Er1 Si1 113.79(5) . 2_655 ?
N1 Er1 K1 51.06(9) 2_655 . ?
N1 Er1 K1 51.06(9) . . ?
C2 Er1 K1 139.9(2) . . ?
C3 Er1 K1 140.4(2) . . ?
C6 Er1 K1 138.2(2) . . ?
C5 Er1 K1 140.0(2) . . ?
C4 Er1 K1 141.7(2) . . ?
C7 Er1 K1 139.7(2) . . ?
C1 Er1 K1 140.8(2) . . ?
Si1 Er1 K1 56.89(2) . . ?
Si1 Er1 K1 56.89(2) 2_655 . ?
N2 Er2 N2 111.03(18) 2_655 . ?
N2 Er2 C4 114.1(3) 2_655 . ?
N2 Er2 C4 117.7(4) . . ?
N2 Er2 C1 104.8(3) 2_655 . ?
N2 Er2 C1 127.9(4) . . ?
C4 Er2 C1 77.4(3) . . ?
N2 Er2 C5 146.3(3) 2_655 . ?
N2 Er2 C5 92.3(3) . . ?
C4 Er2 C5 32.4(2) . . ?
C1 Er2 C5 76.4(3) . . ?
N2 Er2 C3 91.7(3) 2_655 . ?
N2 Er2 C3 149.9(3) . . ?
C4 Er2 C3 32.2(2) . . ?
C1 Er2 C3 59.2(3) . . ?
C5 Er2 C3 59.3(3) . . ?
N2 Er2 C7 134.6(4) 2_655 . ?
N2 Er2 C7 99.6(3) . . ?
C4 Er2 C7 76.8(3) . . ?
C1 Er2 C7 31.7(2) . . ?
C5 Er2 C7 59.0(3) . . ?
C3 Er2 C7 75.4(3) . . ?
N2 Er2 C2 88.2(2) 2_655 . ?
N2 Er2 C2 157.9(3) . . ?
C4 Er2 C2 59.5(3) . . ?
C1 Er2 C2 31.7(2) . . ?
C5 Er2 C2 75.5(3) . . ?
C3 Er2 C2 31.4(2) . . ?
C7 Er2 C2 58.4(3) . . ?
N2 Er2 C6 161.9(2) 2_655 . ?
N2 Er2 C6 86.2(2) . . ?
C4 Er2 C6 58.9(3) . . ?
C1 Er2 C6 58.2(3) . . ?
C5 Er2 C6 31.3(2) . . ?
C3 Er2 C6 74.4(3) . . ?
C7 Er2 C6 31.2(2) . . ?
C2 Er2 C6 73.8(3) . . ?
N2 Er2 Si3 95.95(9) 2_655 . ?
N2 Er2 Si3 29.18(10) . . ?
C4 Er2 Si3 145.0(4) . . ?
C1 Er2 Si3 113.0(3) . . ?
C5 Er2 Si3 114.9(3) . . ?
C3 Er2 Si3 170.4(2) . . ?
C7 Er2 Si3 95.1(2) . . ?
C2 Er2 Si3 142.9(3) . . ?
C6 Er2 Si3 96.9(2) . . ?
N2 Er2 Si3 29.17(10) 2_655 2_655 ?
N2 Er2 Si3 95.95(9) . 2_655 ?
C4 Er2 Si3 103.3(3) . 2_655 ?
C1 Er2 Si3 130.8(3) . 2_655 ?
C5 Er2 Si3 128.8(3) . 2_655 ?
C3 Er2 Si3 95.1(2) . 2_655 ?
C7 Er2 Si3 162.4(3) . 2_655 ?
C2 Er2 Si3 106.1(3) . 2_655 ?
C6 Er2 Si3 160.1(3) . 2_655 ?
Si3 Er2 Si3 94.39(5) . 2_655 ?
O1 K1 O1 81.9(2) 2_655 . ?
O1 K1 N1 128.70(14) 2_655 2_655 ?
O1 K1 N1 126.31(12) . 2_655 ?
O1 K1 N1 126.31(12) 2_655 . ?
O1 K1 N1 128.70(14) . . ?
N1 K1 N1 72.57(14) 2_655 . ?
O1 K1 C13 116.14(16) 2_655 . ?
O1 K1 C13 75.00(15) . . ?
N1 K1 C13 112.61(12) 2_655 . ?
N1 K1 C13 54.64(12) . . ?
O1 K1 C13 75.01(15) 2_655 2_655 ?
O1 K1 C13 116.15(16) . 2_655 ?
N1 K1 C13 54.64(12) 2_655 2_655 ?
N1 K1 C13 112.61(12) . 2_655 ?
C13 K1 C13 166.16(18) . 2_655 ?
O1 K1 Si1 97.71(10) 2_655 . ?
O1 K1 Si1 139.44(11) . . ?
N1 K1 Si1 85.36(8) 2_655 . ?
N1 K1 Si1 29.16(7) . . ?
C13 K1 Si1 68.85(11) . . ?
C13 K1 Si1 102.60(12) 2_655 . ?
O1 K1 Si1 139.44(11) 2_655 2_655 ?
O1 K1 Si1 97.71(10) . 2_655 ?
N1 K1 Si1 29.16(7) 2_655 2_655 ?
N1 K1 Si1 85.36(8) . 2_655 ?
C13 K1 Si1 102.61(12) . 2_655 ?
C13 K1 Si1 68.85(11) 2_655 2_655 ?
Si1 K1 Si1 107.42(6) . 2_655 ?
O1 K1 C20 69.55(19) 2_655 . ?
O1 K1 C20 21.59(16) . . ?
N1 K1 C20 147.73(15) 2_655 . ?
N1 K1 C20 121.34(15) . . ?
C13 K1 C20 67.65(16) . . ?
C13 K1 C20 125.76(17) 2_655 . ?
Si1 K1 C20 121.43(13) . . ?
Si1 K1 C20 118.76(14) 2_655 . ?
O1 K1 C20 21.59(16) 2_655 2_655 ?
O1 K1 C20 69.55(19) . 2_655 ?
N1 K1 C20 121.34(15) 2_655 2_655 ?
N1 K1 C20 147.73(15) . 2_655 ?
C13 K1 C20 125.76(17) . 2_655 ?
C13 K1 C20 67.65(16) 2_655 2_655 ?
Si1 K1 C20 118.77(14) . 2_655 ?
Si1 K1 C20 121.43(13) 2_655 2_655 ?
C20 K1 C20 64.2(3) . 2_655 ?
O1 K1 C10 114.14(15) 2_655 2_655 ?
O1 K1 C10 74.74(14) . 2_655 ?
N1 K1 C10 53.47(12) 2_655 2_655 ?
N1 K1 C10 116.08(13) . 2_655 ?
C13 K1 C10 115.43(18) . 2_655 ?
C13 K1 C10 63.09(17) 2_655 2_655 ?
Si1 K1 C10 137.88(11) . 2_655 ?
Si1 K1 C10 31.13(10) 2_655 2_655 ?
C20 K1 C10 96.07(16) . 2_655 ?
C20 K1 C10 93.31(17) 2_655 2_655 ?
O1 K1 C10 74.74(14) 2_655 . ?
O1 K1 C10 114.14(15) . . ?
N1 K1 C10 116.08(13) 2_655 . ?
N1 K1 C10 53.47(12) . . ?
C13 K1 C10 63.09(17) . . ?
C13 K1 C10 115.43(18) 2_655 . ?
Si1 K1 C10 31.13(10) . . ?
Si1 K1 C10 137.88(11) 2_655 . ?
C20 K1 C10 93.31(17) . . ?
C20 K1 C10 96.08(16) 2_655 . ?
C10 K1 C10 168.9(2) 2_655 . ?
N1 Si1 C9 116.9(2) . . ?
N1 Si1 C8 109.4(2) . . ?
C9 Si1 C8 104.6(3) . . ?
N1 Si1 C10 112.4(3) . . ?
C9 Si1 C10 106.1(3) . . ?
C8 Si1 C10 106.7(3) . . ?
N1 Si1 Er1 39.36(12) . . ?
C9 Si1 Er1 109.0(2) . . ?
C8 Si1 Er1 75.2(2) . . ?
C10 Si1 Er1 143.0(2) . . ?
N1 Si1 K1 60.47(12) . . ?
C9 Si1 K1 177.3(2) . . ?
C8 Si1 K1 77.2(2) . . ?
C10 Si1 K1 75.0(2) . . ?
Er1 Si1 K1 69.39(3) . . ?
N1 Si2 C12 115.3(2) . . ?
N1 Si2 C13 111.5(2) . . ?
C12 Si2 C13 105.7(3) . . ?
N1 Si2 C11 114.0(3) . . ?
C12 Si2 C11 103.4(3) . . ?
C13 Si2 C11 106.0(3) . . ?
N1 Si2 K1 50.18(12) . . ?
C12 Si2 K1 119.3(2) . . ?
C13 Si2 K1 62.4(2) . . ?
C11 Si2 K1 137.2(2) . . ?
N2 Si3 C15 113.4(3) . . ?
N2 Si3 C14 109.0(2) . . ?
C15 Si3 C14 106.2(3) . . ?
N2 Si3 C16 114.4(3) . . ?
C15 Si3 C16 107.8(5) . . ?
C14 Si3 C16 105.4(3) . . ?
N2 Si3 Er2 40.46(13) . . ?
C15 Si3 Er2 123.7(3) . . ?
C14 Si3 Er2 68.54(15) . . ?
C16 Si3 Er2 128.0(3) . . ?
N2 Si4 C17 113.7(3) . . ?
N2 Si4 C19 114.2(2) . . ?
C17 Si4 C19 104.2(3) . . ?
N2 Si4 C18 112.7(3) . . ?
C17 Si4 C18 105.4(3) . . ?
C19 Si4 C18 105.8(4) . . ?
C23 O1 C20 108.1(6) . . ?
C23 O1 K1 135.1(4) . . ?
C20 O1 K1 114.8(4) . . ?
Si1 N1 Si2 118.1(2) . . ?
Si1 N1 Er1 112.82(19) . . ?
Si2 N1 Er1 125.85(19) . . ?
Si1 N1 K1 90.37(14) . . ?
Si2 N1 K1 104.06(16) . . ?
Er1 N1 K1 92.65(12) . . ?
Si3 N2 Si4 119.3(2) . . ?
Si3 N2 Er2 110.36(19) . . ?
Si4 N2 Er2 129.45(19) . . ?
C7 C1 C2 128.8(10) . . ?
C7 C1 Er2 76.1(6) . . ?
C2 C1 Er2 76.5(5) . . ?
C7 C1 Er1 74.1(6) . . ?
C2 C1 Er1 69.8(5) . . ?
Er2 C1 Er1 101.0(3) . . ?
C3 C2 C1 128.5(9) . . ?
C3 C2 Er1 73.7(5) . . ?
C1 C2 Er1 77.9(6) . . ?
C3 C2 Er2 73.4(5) . . ?
C1 C2 Er2 71.7(5) . . ?
Er1 C2 Er2 102.2(3) . . ?
C2 C3 C4 128.4(9) . . ?
C2 C3 Er1 73.4(5) . . ?
C4 C3 Er1 77.3(5) . . ?
C2 C3 Er2 75.2(5) . . ?
C4 C3 Er2 71.0(5) . . ?
Er1 C3 Er2 102.7(3) . . ?
C3 C4 C5 128.5(9) . . ?
C3 C4 Er2 76.8(5) . . ?
C5 C4 Er2 76.6(6) . . ?
C3 C4 Er1 70.2(5) . . ?
C5 C4 Er1 73.5(5) . . ?
Er2 C4 Er1 102.2(3) . . ?
C6 C5 C4 127.9(10) . . ?
C6 C5 Er1 71.7(5) . . ?
C4 C5 Er1 74.3(5) . . ?
C6 C5 Er2 77.8(6) . . ?
C4 C5 Er2 71.0(6) . . ?
Er1 C5 Er2 100.5(4) . . ?
C7 C6 C5 128.1(10) . . ?
C7 C6 Er1 76.5(6) . . ?
C5 C6 Er1 75.9(6) . . ?
C7 C6 Er2 71.4(5) . . ?
C5 C6 Er2 71.0(6) . . ?
Er1 C6 Er2 99.5(3) . . ?
C1 C7 C6 128.6(10) . . ?
C1 C7 Er1 74.3(6) . . ?
C6 C7 Er1 71.2(5) . . ?
C1 C7 Er2 72.3(5) . . ?
C6 C7 Er2 77.4(6) . . ?
Er1 C7 Er2 99.8(3) . . ?
Si1 C10 K1 73.8(2) . . ?
Si2 C13 K1 88.3(2) . . ?
O1 C20 C21 104.9(6) . . ?
O1 C20 K1 43.6(3) . . ?
C21 C20 K1 132.2(5) . . ?
C20 C21 C22 102.5(7) . . ?
C21 C22 C23 103.4(7) . . ?
O1 C23 C22 107.5(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C9 Si1 N1 Si2 -73.2(3) . . . . ?
C8 Si1 N1 Si2 168.2(3) . . . . ?
C10 Si1 N1 Si2 49.8(3) . . . . ?
Er1 Si1 N1 Si2 -160.8(3) . . . . ?
K1 Si1 N1 Si2 106.2(2) . . . . ?
C9 Si1 N1 Er1 87.6(3) . . . . ?
C8 Si1 N1 Er1 -31.0(3) . . . . ?
C10 Si1 N1 Er1 -149.4(2) . . . . ?
K1 Si1 N1 Er1 -93.03(17) . . . . ?
C9 Si1 N1 K1 -179.4(2) . . . . ?
C8 Si1 N1 K1 62.0(3) . . . . ?
C10 Si1 N1 K1 -56.4(3) . . . . ?
Er1 Si1 N1 K1 93.03(17) . . . . ?
C12 Si2 N1 Si1 153.8(3) . . . . ?
C13 Si2 N1 Si1 -85.7(3) . . . . ?
C11 Si2 N1 Si1 34.4(3) . . . . ?
K1 Si2 N1 Si1 -98.1(2) . . . . ?
C12 Si2 N1 Er1 -4.2(4) . . . . ?
C13 Si2 N1 Er1 116.3(3) . . . . ?
C11 Si2 N1 Er1 -123.7(3) . . . . ?
K1 Si2 N1 Er1 103.9(3) . . . . ?
C12 Si2 N1 K1 -108.1(3) . . . . ?
C13 Si2 N1 K1 12.4(3) . . . . ?
C11 Si2 N1 K1 132.5(2) . . . . ?
C15 Si3 N2 Si4 -74.5(4) . . . . ?
C14 Si3 N2 Si4 167.5(3) . . . . ?
C16 Si3 N2 Si4 49.8(4) . . . . ?
Er2 Si3 N2 Si4 170.4(3) . . . . ?
C15 Si3 N2 Er2 115.1(4) . . . . ?
C14 Si3 N2 Er2 -2.9(3) . . . . ?
C16 Si3 N2 Er2 -120.6(3) . . . . ?
C17 Si4 N2 Si3 37.7(4) . . . . ?
C19 Si4 N2 Si3 157.0(3) . . . . ?
C18 Si4 N2 Si3 -82.2(3) . . . . ?
C17 Si4 N2 Er2 -154.0(3) . . . . ?
C19 Si4 N2 Er2 -34.7(4) . . . . ?
C18 Si4 N2 Er2 86.1(3) . . . . ?
C7 C1 C2 C3 9.6(16) . . . . ?
Er2 C1 C2 C3 -49.8(9) . . . . ?
Er1 C1 C2 C3 57.6(9) . . . . ?
C7 C1 C2 Er1 -48.0(9) . . . . ?
Er2 C1 C2 Er1 -107.3(3) . . . . ?
C7 C1 C2 Er2 59.3(9) . . . . ?
Er1 C1 C2 Er2 107.3(3) . . . . ?
C1 C2 C3 C4 -1.2(17) . . . . ?
Er1 C2 C3 C4 58.1(9) . . . . ?
Er2 C2 C3 C4 -50.3(9) . . . . ?
C1 C2 C3 Er1 -59.3(9) . . . . ?
Er2 C2 C3 Er1 -108.4(3) . . . . ?
C1 C2 C3 Er2 49.1(9) . . . . ?
Er1 C2 C3 Er2 108.4(3) . . . . ?
C2 C3 C4 C5 -8.7(16) . . . . ?
Er1 C3 C4 C5 47.8(9) . . . . ?
Er2 C3 C4 C5 -60.6(9) . . . . ?
C2 C3 C4 Er2 51.9(9) . . . . ?
Er1 C3 C4 Er2 108.4(3) . . . . ?
C2 C3 C4 Er1 -56.5(9) . . . . ?
Er2 C3 C4 Er1 -108.4(3) . . . . ?
C3 C4 C5 C6 4.2(16) . . . . ?
Er2 C4 C5 C6 -56.4(9) . . . . ?
Er1 C4 C5 C6 50.8(9) . . . . ?
C3 C4 C5 Er1 -46.6(9) . . . . ?
Er2 C4 C5 Er1 -107.2(3) . . . . ?
C3 C4 C5 Er2 60.7(9) . . . . ?
Er1 C4 C5 Er2 107.2(3) . . . . ?
C4 C5 C6 C7 8.0(16) . . . . ?
Er1 C5 C6 C7 59.8(9) . . . . ?
Er2 C5 C6 C7 -45.7(9) . . . . ?
C4 C5 C6 Er1 -51.8(9) . . . . ?
Er2 C5 C6 Er1 -105.5(3) . . . . ?
C4 C5 C6 Er2 53.7(9) . . . . ?
Er1 C5 C6 Er2 105.5(3) . . . . ?
C2 C1 C7 C6 -2.8(16) . . . . ?
Er2 C1 C7 C6 56.7(9) . . . . ?
Er1 C1 C7 C6 -49.2(9) . . . . ?
C2 C1 C7 Er1 46.4(9) . . . . ?
Er2 C1 C7 Er1 106.0(2) . . . . ?
C2 C1 C7 Er2 -59.5(9) . . . . ?
Er1 C1 C7 Er2 -106.0(2) . . . . ?
C5 C6 C7 C1 -9.1(16) . . . . ?
Er1 C6 C7 C1 50.4(9) . . . . ?
Er2 C6 C7 C1 -54.7(9) . . . . ?
C5 C6 C7 Er1 -59.5(9) . . . . ?
Er2 C6 C7 Er1 -105.1(2) . . . . ?
C5 C6 C7 Er2 45.6(9) . . . . ?
Er1 C6 C7 Er2 105.1(2) . . . . ?
N1 Si1 C10 K1 48.6(2) . . . . ?
C9 Si1 C10 K1 177.5(2) . . . . ?
C8 Si1 C10 K1 -71.4(2) . . . . ?
Er1 Si1 C10 K1 16.1(4) . . . . ?
N1 Si2 C13 K1 -10.7(3) . . . . ?
C12 Si2 C13 K1 115.3(2) . . . . ?
C11 Si2 C13 K1 -135.4(2) . . . . ?
C23 O1 C20 C21 -29.8(9) . . . . ?
K1 O1 C20 C21 136.8(5) . . . . ?
C23 O1 C20 K1 -166.6(8) . . . . ?
O1 C20 C21 C22 37.2(8) . . . . ?
K1 C20 C21 C22 76.8(8) . . . . ?
C20 C21 C22 C23 -30.4(10) . . . . ?
C20 O1 C23 C22 9.8(10) . . . . ?
K1 O1 C23 C22 -152.8(6) . . . . ?
C21 C22 C23 O1 13.5(11) . . . . ?

_refine_diff_density_max         1.380
_refine_diff_density_min         -2.107
_refine_diff_density_rms         0.172

_shelxl_version_number           2013-4

