####################################################################### 
# 
# 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_ralr92
_audit_block_doi                 10.5517/ccy3pj7
_database_code_depnum_ccdc_archive 'CCDC 867489'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1002/anie.201202497 2012
_audit_update_record             
;
2012-02-17 deposited with the CCDC.
2018-09-02 downloaded from the CCDC.
;
#TrackingRef '9660_web_deposit_cif_file_0_RichardLayfield_1329487816.ralr92_fin.cif'


#===============================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
;
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C60 H58 Gd2 S2 Si2, C7 H8'
_chemical_formula_structural     ?
_chemical_formula_sum            'C67 H66 Gd2 S2 Si2'
_chemical_formula_iupac          ?
_chemical_formula_weight         1306.02
_chemical_compound_source        'see text'

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 ' 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'
Gd Gd -8.8380 11.9157 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

#===============================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_Int_Tables_number      14

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+x,1/2-y,1/2+z

_cell_length_a                   9.7437(2)
_cell_length_b                   18.8921(6)
_cell_length_c                   15.4871(5)
_cell_angle_alpha                90
_cell_angle_beta                 96.694(2)
_cell_angle_gamma                90
_cell_volume                     2831.41(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(1)
_cell_measurement_reflns_used    5247
_cell_measurement_theta_min      3.7026
_cell_measurement_theta_max      62.0078
_cell_special_details            
;
;

_exptl_crystal_description       rod
_exptl_crystal_colour            colourless

_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_crystal_size_rad          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             1312
_exptl_absorpt_coefficient_mu    16.384
_exptl_crystal_density_meas_temp ?
_exptl_absorpt_correction_T_min  0.24621
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

#===============================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           
;
;
_diffrn_ambient_temperature      123(1)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'Enhance Ultra (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror

_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean 10.5431

# number of measured reflections (redundant set)
_diffrn_reflns_number            11191
_diffrn_reflns_av_R_equivalents  0.0542
_diffrn_reflns_av_sigmaI/netI    0.0553
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.71
_diffrn_reflns_theta_max         62.09
_diffrn_reflns_theta_full        62.09
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.978
_diffrn_reflns_reduction_process 
;
;

# number of unique reflections
_reflns_number_total             4356
# number of observed reflections (> n sig(I))
_reflns_number_gt                3909
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  'PLATON (Spek, 2003)'

#===============================================================================

# 8. REFINEMENT DATA

_refine_special_details          
;
Refinement on F^2^ for ALL reflections except those
flagged by the user for potential systematic errors.
Weighted R-factors wR and all goodnesses of fit S
are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The
observed criterion of F^2^ > 2sigma(F^2^) is used only
for calculating -R-factor-obs etc. and is not
relevant to the choice of reflections for refinement.
R-factors based on F^2^ are statistically about twice
as large as those based on F, and R-factors based on
ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0811P)^2^+0.0517P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

_refine_ls_hydrogen_treatment    constr

_refine_ls_extinction_method     none
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   .
_refine_ls_number_reflns         4356
_refine_ls_number_parameters     408
_refine_ls_number_restraints     24
_refine_ls_number_constraints    ?
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0469
_refine_ls_wR_factor_ref         0.1299
_refine_ls_wR_factor_gt          0.1222
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_restrained_S_all      1.102
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.752
_refine_diff_density_min         -1.917
_refine_diff_density_rms         0.124

#===============================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags

_atom_site_disorder_assembly
_atom_site_disorder_group

Gd1 Gd Uani 0.02570(3) 0.02673(2) 0.86738(2) 1.000 0.0273(1) d . A .
S1 S Uani 0.09309(15) 0.07662(8) 1.03554(9) 1.000 0.0378(5) d . . .
Si1 Si Uani 0.19391(13) 0.17214(8) 1.07837(10) 1.000 0.0296(4) d . . .
C1 C Uani 0.2948(13) -0.0093(12) 0.8683(10) 0.650 0.055(6) d P A 1
C2 C Uani 0.2285(13) -0.0678(7) 0.8561(11) 0.650 0.040(3) d UP A 1
C3 C Uani 0.1429(16) -0.0647(8) 0.7717(10) 0.650 0.056(3) d UP A 1
C4 C Uani 0.1696(14) -0.0041(9) 0.7395(9) 0.650 0.040(3) d UP A 1
C5 C Uani 0.2620(13) 0.0316(8) 0.7972(9) 0.650 0.039(3) d UP A 1
C6 C Uani 0.4060(13) 0.0121(10) 0.9432(11) 0.650 0.085(6) d P A 1
C7 C Uani -0.0753(6) 0.1278(4) 0.7556(4) 1.000 0.045(2) d . . .
C8 C Uani -0.1452(7) 0.0627(5) 0.7294(5) 1.000 0.056(3) d . . .
C9 C Uani -0.2280(7) 0.0436(6) 0.7931(6) 1.000 0.066(3) d . . .
C10 C Uani -0.2132(7) 0.0936(5) 0.8564(6) 1.000 0.064(3) d . . .
C11 C Uani -0.1240(7) 0.1436(4) 0.8344(5) 1.000 0.053(2) d . . .
C12 C Uani 0.0123(7) 0.1713(5) 0.7031(6) 1.000 0.073(3) d . . .
C13 C Uani 0.0646(5) 0.2439(3) 1.0922(3) 1.000 0.0308(18) d . . .
C14 C Uani 0.1096(6) 0.3088(4) 1.1265(4) 1.000 0.042(2) d . . .
C15 C Uani 0.0183(7) 0.3639(4) 1.1379(4) 1.000 0.049(2) d . . .
C16 C Uani -0.1213(6) 0.3538(4) 1.1133(4) 1.000 0.047(2) d . . .
C17 C Uani -0.1681(6) 0.2899(4) 1.0790(4) 1.000 0.047(2) d . . .
C18 C Uani -0.0765(5) 0.2353(4) 1.0672(4) 1.000 0.0391(18) d . . .
C19 C Uani 0.2964(5) 0.1547(3) 1.1858(4) 1.000 0.0323(16) d . . .
C20 C Uani 0.2482(6) 0.1756(3) 1.2622(4) 1.000 0.039(2) d . . .
C21 C Uani 0.3182(6) 0.1610(4) 1.3435(4) 1.000 0.047(2) d . . .
C22 C Uani 0.4406(6) 0.1231(4) 1.3497(4) 1.000 0.048(2) d . . .
C23 C Uani 0.4881(19) 0.1042(15) 1.2728(16) 0.650 0.061(7) d P . 1
C24 C Uani 0.4209(16) 0.1216(11) 1.1888(10) 0.650 0.050(5) d P . 1
C25 C Uani 0.2873(12) 0.2063(7) 0.9870(10) 0.650 0.030(4) d P . 1
C26 C Uani 0.4294(12) 0.1957(7) 0.9820(9) 0.650 0.057(5) d P . 1
C27 C Uani 0.4951(15) 0.2171(10) 0.9105(14) 0.650 0.070(6) d P . 1
C28 C Uani 0.4186(11) 0.2488(6) 0.8412(7) 0.650 0.050(4) d P . 1
C29 C Uani 0.2790(10) 0.2628(7) 0.8454(7) 0.650 0.051(4) d P . 1
C30 C Uani 0.2181(9) 0.2409(6) 0.9163(7) 0.650 0.040(3) d P . 1
C3A C Uiso 0.304(2) 0.0175(12) 0.8841(15) 0.350 0.022(5) d P A 2
C4A C Uiso 0.265(3) 0.0572(16) 0.8077(18) 0.350 0.045(7) d P A 2
C5A C Uiso 0.197(3) 0.0140(13) 0.750(2) 0.350 0.031(6) d P A 2
C6A C Uiso 0.141(3) -0.126(2) 0.755(2) 0.350 0.105(10) d P A 2
C23A C Uiso 0.498(5) 0.092(3) 1.286(3) 0.350 0.053(12) d P . 2
C24A C Uiso 0.424(3) 0.1047(15) 1.207(2) 0.350 0.031(8) d P . 2
C25A C Uiso 0.327(3) 0.1944(15) 1.000(2) 0.350 0.034(8) d P . 2
C26A C Uiso 0.4653(19) 0.1921(11) 1.0221(14) 0.350 0.035(5) d P . 2
C27A C Uiso 0.550(3) 0.2027(15) 0.9562(18) 0.350 0.063(6) d P . 2
C28A C Uiso 0.487(4) 0.213(2) 0.874(2) 0.350 0.057(9) d P . 2
C29A C Uiso 0.355(2) 0.2166(14) 0.8508(15) 0.350 0.056(5) d P . 2
C30A C Uiso 0.269(2) 0.2043(12) 0.9183(15) 0.350 0.043(5) d P . 2
C2A C Uiso 0.255(2) -0.0527(14) 0.8773(13) 0.350 0.019(5) d P A 2
C1A C Uiso 0.186(3) -0.0655(16) 0.794(2) 0.350 0.053(8) d P A 2
C31 C Uani 0.5642(14) 0.5217(7) 1.0077(10) 0.500 0.065(7) d GP . -1
C32 C Uani 0.5750(11) 0.4508(8) 0.9856(8) 0.500 0.051(12) d GP . -1
C33 C Uani 0.4577(16) 0.4084(6) 0.9750(8) 0.500 0.065(6) d GP . -1
C34 C Uani 0.3296(12) 0.4369(9) 0.9864(9) 0.500 0.13(2) d GP . -1
C35 C Uani 0.3187(13) 0.5078(9) 1.0085(8) 0.500 0.077(9) d GP . -1
C36 C Uani 0.4360(19) 0.5502(6) 1.0192(8) 0.500 0.071(12) d GP . -1
C37 C Uani 0.680(2) 0.5677(14) 1.0133(12) 0.500 0.086(15) d P . -1
H12C H Uiso 0.07770 0.19790 0.74130 1.000 0.1090 c R . .
H12B H Uiso 0.06080 0.14070 0.66750 1.000 0.1090 c R . .
H16 H Uiso -0.18350 0.39010 1.11990 1.000 0.0560 c R . .
H17 H Uiso -0.26230 0.28320 1.06350 1.000 0.0570 c R . .
H18 H Uiso -0.10960 0.19290 1.04240 1.000 0.0470 c R . .
H20 H Uiso 0.16540 0.20060 1.25910 1.000 0.0470 c R . .
H21 H Uiso 0.28310 0.17650 1.39350 1.000 0.0560 c R . .
H22A H Uiso 0.48820 0.11110 1.40330 0.650 0.0570 c RP B 1
H23 H Uiso 0.56970 0.07820 1.27580 0.650 0.0730 c RP . 1
H24 H Uiso 0.46030 0.11090 1.13850 0.650 0.0590 c RP . 1
H26 H Uiso 0.48190 0.17360 1.02830 0.650 0.0690 c RP . 1
H27 H Uiso 0.58950 0.20980 0.91000 0.650 0.0840 c RP . 1
H28 H Uiso 0.45940 0.26100 0.79190 0.650 0.0600 c RP . 1
H29 H Uiso 0.22740 0.28690 0.80040 0.650 0.0620 c RP . 1
H30 H Uiso 0.12430 0.24990 0.91690 0.650 0.0480 c RP . 1
H14 H Uiso 0.20360 0.31580 1.14230 1.000 0.0510 c R . .
H15 H Uiso 0.05070 0.40680 1.16170 1.000 0.0590 c R . .
H2 H Uiso 0.23380 -0.10590 0.89450 0.650 0.0480 c RP A 1
H3 H Uiso 0.08250 -0.09910 0.74680 0.650 0.0670 c RP A 1
H4 H Uiso 0.13190 0.01280 0.68540 0.650 0.0480 c RP A 1
H5 H Uiso 0.29650 0.07670 0.78890 0.650 0.0460 c RP A 1
H6A H Uiso 0.38830 -0.01160 0.99560 0.650 0.1270 c RP A 1
H6B H Uiso 0.40320 0.06240 0.95180 0.650 0.1270 c RP A 1
H6C H Uiso 0.49560 -0.00120 0.92870 0.650 0.1270 c RP A 1
H8 H Uiso -0.13660 0.03780 0.67860 1.000 0.0670 c R . .
H9 H Uiso -0.28360 0.00360 0.79240 1.000 0.0790 c R . .
H10 H Uiso -0.25710 0.09350 0.90660 1.000 0.0770 c R . .
H11 H Uiso -0.09850 0.18350 0.86760 1.000 0.0630 c R . .
H12A H Uiso -0.04530 0.20320 0.66680 1.000 0.1090 c R . .
H6A1 H Uiso 0.14010 -0.16310 0.79720 0.350 0.1570 c RP A 2
H6A2 H Uiso 0.20140 -0.13920 0.71260 0.350 0.1570 c RP A 2
H2A H Uiso 0.26640 -0.08590 0.92190 0.350 0.0230 c RP A 2
H6A3 H Uiso 0.04920 -0.11930 0.72600 0.350 0.1570 c RP A 2
H3A H Uiso 0.35710 0.03550 0.93300 0.350 0.0270 c RP A 2
H4A H Uiso 0.28300 0.10490 0.79940 0.350 0.0540 c RP A 2
H5A H Uiso 0.16060 0.02630 0.69380 0.350 0.0370 c RP A 2
H22B H Uiso 0.49550 0.12210 1.40320 0.350 0.0570 d RP B 2
H23A H Uiso 0.57850 0.06490 1.29380 0.350 0.0630 c RP . 2
H24A H Uiso 0.45250 0.08060 1.15990 0.350 0.0370 c RP . 2
H26A H Uiso 0.50300 0.18370 1.07920 0.350 0.0420 c RP . 2
H27A H Uiso 0.64580 0.20270 0.96810 0.350 0.0760 c RP . 2
H28A H Uiso 0.54350 0.21830 0.83000 0.350 0.0680 c RP . 2
H29A H Uiso 0.31780 0.22650 0.79390 0.350 0.0670 c RP . 2
H30A H Uiso 0.17300 0.20310 0.90540 0.350 0.0520 c RP . 2
H32 H Uiso 0.66080 0.43180 0.97800 0.500 0.0630 c RP . -1
H33 H Uiso 0.46500 0.36090 0.96020 0.500 0.0780 c RP . -1
H34 H Uiso 0.25110 0.40850 0.97930 0.500 0.1520 c RP . -1
H35 H Uiso 0.23300 0.52680 1.01620 0.500 0.0920 c RP . -1
H36 H Uiso 0.42870 0.59770 1.03400 0.500 0.0840 c RP . -1
H37A H Uiso 0.65200 0.61440 1.02850 0.500 0.1300 c RP . -1
H37B H Uiso 0.71560 0.56920 0.95810 0.500 0.1300 c RP . -1
H37C H Uiso 0.75000 0.55070 1.05700 0.500 0.1300 c RP . -1

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Gd1 0.0312(2) 0.0309(3) 0.0213(2) 0.0014(1) 0.0099(1) 0.0058(1)
S1 0.0548(8) 0.0345(9) 0.0252(7) -0.0033(6) 0.0094(6) -0.0162(6)
Si1 0.0288(6) 0.0311(9) 0.0310(8) -0.0077(7) 0.0129(6) -0.0038(6)
C1 0.029(6) 0.069(12) 0.071(10) -0.034(10) 0.022(5) 0.005(7)
C2 0.038(5) 0.044(5) 0.041(5) -0.002(4) 0.017(4) 0.005(4)
C3 0.054(5) 0.056(6) 0.061(6) -0.025(4) 0.020(4) 0.010(4)
C4 0.044(5) 0.050(6) 0.028(5) -0.005(4) 0.014(4) 0.000(4)
C5 0.032(4) 0.048(5) 0.040(5) -0.002(4) 0.023(4) -0.004(4)
C6 0.053(7) 0.121(14) 0.078(10) -0.023(9) -0.004(7) 0.016(7)
C7 0.041(3) 0.050(4) 0.046(4) 0.027(3) 0.010(3) 0.012(3)
C8 0.057(4) 0.064(5) 0.043(4) 0.002(4) -0.014(3) 0.017(4)
C9 0.032(3) 0.091(7) 0.072(6) 0.041(6) -0.009(4) -0.007(4)
C10 0.037(3) 0.091(7) 0.070(5) 0.042(5) 0.027(4) 0.032(4)
C11 0.064(4) 0.040(4) 0.054(4) 0.011(3) 0.009(3) 0.028(3)
C12 0.056(4) 0.076(6) 0.088(6) 0.047(5) 0.018(4) 0.008(4)
C13 0.030(2) 0.037(4) 0.027(3) -0.003(3) 0.010(2) 0.001(2)
C14 0.036(3) 0.042(4) 0.048(4) -0.005(3) 0.001(3) 0.004(3)
C15 0.057(4) 0.040(4) 0.048(4) -0.010(3) -0.001(3) 0.012(3)
C16 0.048(3) 0.062(5) 0.032(3) -0.005(3) 0.009(3) 0.027(3)
C17 0.030(3) 0.075(6) 0.037(3) -0.001(4) 0.008(2) 0.010(3)
C18 0.028(2) 0.052(4) 0.038(3) -0.008(3) 0.007(2) 0.001(3)
C19 0.031(2) 0.031(3) 0.036(3) -0.013(3) 0.009(2) -0.004(2)
C20 0.041(3) 0.037(4) 0.042(4) 0.002(3) 0.015(3) 0.003(3)
C21 0.059(4) 0.045(4) 0.039(4) 0.002(3) 0.019(3) 0.008(3)
C22 0.045(3) 0.056(5) 0.041(4) -0.004(3) -0.001(3) -0.003(3)
C23 0.026(6) 0.110(17) 0.044(10) 0.001(9) -0.003(5) 0.036(8)
C24 0.042(7) 0.075(12) 0.032(8) 0.006(8) 0.005(5) 0.037(7)
C25 0.018(6) 0.029(6) 0.044(7) -0.012(5) 0.012(5) -0.002(5)
C26 0.035(6) 0.073(9) 0.069(9) 0.042(7) 0.027(6) 0.027(5)
C27 0.036(6) 0.090(12) 0.090(14) 0.052(12) 0.035(9) 0.012(6)
C28 0.043(5) 0.050(7) 0.063(7) 0.013(6) 0.038(5) -0.005(6)
C29 0.052(5) 0.064(8) 0.040(6) 0.019(5) 0.018(5) -0.004(5)
C30 0.033(4) 0.046(7) 0.043(6) 0.017(5) 0.011(4) 0.006(5)
C31 0.103(15) 0.053(11) 0.036(8) 0.017(7) -0.007(9) -0.042(10)
C32 0.063(16) 0.08(3) 0.011(11) 0.002(12) 0.012(10) -0.007(15)
C33 0.090(12) 0.062(12) 0.040(8) -0.013(8) -0.006(8) -0.005(10)
C34 0.09(2) 0.23(6) 0.07(2) 0.09(3) 0.031(18) 0.02(3)
C35 0.093(15) 0.106(19) 0.039(9) 0.023(11) 0.035(9) 0.066(16)
C36 0.09(2) 0.05(2) 0.07(2) 0.001(16) -0.003(17) 0.05(2)
C37 0.12(3) 0.11(3) 0.021(14) -0.010(15) -0.019(14) -0.07(3)

#===============================================================================

# 10. MOLECULAR GEOMETRY

_geom_special_details            
;
Bond distances, angles etc. have been calculated using the
rounded fractional coordinates. All su's are estimated
from the variances of the (full) variance-covariance matrix.
The cell esds are taken into account in the estimation of
distances, angles and torsion angles
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Gd1 S1 2.7755(14) . . yes
Gd1 C1 2.707(14) . . yes
Gd1 C2 2.684(13) . . yes
Gd1 C3 2.623(15) . . yes
Gd1 C4 2.622(14) . . yes
Gd1 C5 2.660(13) . . yes
Gd1 C7 2.686(7) . . yes
Gd1 C8 2.640(8) . . yes
Gd1 C9 2.622(7) . . yes
Gd1 C10 2.637(8) . . yes
Gd1 C11 2.663(7) . . yes
Gd1 C1A 2.68(3) . . yes
Gd1 C2A 2.68(2) . . yes
Gd1 C3A 2.70(2) . . yes
Gd1 C4A 2.67(3) . . yes
Gd1 C5A 2.62(3) . . yes
Gd1 S1 2.7961(15) . 3_557 yes
S1 Si1 2.124(2) . . yes
Si1 C13 1.880(5) . . yes
Si1 C19 1.867(6) . . yes
Si1 C25 1.883(14) . . yes
Si1 C25A 1.92(3) . . yes
C1 C2 1.28(2) . . no
C1 C5 1.35(2) . . no
C1 C6 1.55(2) . . no
C1A C6A 1.34(5) . . no
C1A C5A 1.66(4) . . no
C1A C2A 1.40(4) . . no
C2 C3 1.47(2) . . no
C2A C3A 1.41(3) . . no
C3 C4 1.29(2) . . no
C3A C4A 1.42(4) . . no
C4 C5 1.37(2) . . no
C4A C5A 1.33(4) . . no
C7 C12 1.492(11) . . no
C7 C8 1.441(11) . . no
C7 C11 1.392(10) . . no
C8 C9 1.393(11) . . no
C9 C10 1.357(14) . . no
C10 C11 1.354(11) . . no
C13 C14 1.387(9) . . no
C13 C18 1.394(7) . . no
C14 C15 1.394(10) . . no
C15 C16 1.382(9) . . no
C16 C17 1.375(10) . . no
C17 C18 1.390(9) . . no
C19 C20 1.381(8) . . no
C19 C24 1.361(18) . . no
C19 C24A 1.57(3) . . no
C20 C21 1.388(9) . . no
C21 C22 1.385(9) . . no
C22 C23A 1.33(5) . . no
C22 C23 1.37(2) . . no
C23 C24 1.43(3) . . no
C23A C24A 1.37(6) . . no
C25 C26 1.410(17) . . no
C25 C30 1.382(18) . . no
C25A C26A 1.35(4) . . no
C25A C30A 1.34(4) . . no
C26 C27 1.40(2) . . no
C26A C27A 1.40(4) . . no
C27 C28 1.37(2) . . no
C27A C28A 1.36(4) . . no
C28 C29 1.395(15) . . no
C28A C29A 1.30(4) . . no
C29 C30 1.372(15) . . no
C29A C30A 1.43(3) . . no
C2 H2 0.9300 . . no
C2A H2A 0.9300 . . no
C3 H3 0.9300 . . no
C3A H3A 0.9300 . . no
C4 H4 0.9300 . . no
C4A H4A 0.9300 . . no
C5 H5 0.9300 . . no
C5A H5A 0.9300 . . no
C6 H6B 0.9600 . . no
C6 H6C 0.9600 . . no
C6 H6A 0.9600 . . no
C6A H6A3 0.9600 . . no
C6A H6A1 0.9600 . . no
C6A H6A2 0.9600 . . no
C8 H8 0.9300 . . no
C9 H9 0.9300 . . no
C10 H10 0.9300 . . no
C11 H11 0.9300 . . no
C12 H12A 0.9600 . . no
C12 H12B 0.9600 . . no
C12 H12C 0.9600 . . no
C14 H14 0.9300 . . no
C15 H15 0.9300 . . no
C16 H16 0.9300 . . no
C17 H17 0.9300 . . no
C18 H18 0.9300 . . no
C20 H20 0.9300 . . no
C21 H21 0.9300 . . no
C22 H22B 0.9300 . . no
C22 H22A 0.9300 . . no
C23 H23 0.9300 . . no
C23A H23A 0.9300 . . no
C24 H24 0.9300 . . no
C24A H24A 0.9300 . . no
C26 H26 0.9300 . . no
C26A H26A 0.9300 . . no
C27 H27 0.9300 . . no
C27A H27A 0.9300 . . no
C28 H28 0.9300 . . no
C28A H28A 0.9300 . . no
C29 H29 0.9300 . . no
C29A H29A 0.9300 . . no
C30 H30 0.9300 . . no
C30A H30A 0.9300 . . no
C31 C32 1.39(2) . . no
C31 C36 1.39(2) . . no
C31 C37 1.42(3) . . no
C32 C33 1.390(19) . . no
C33 C34 1.39(2) . . no
C34 C35 1.39(2) . . no
C35 C36 1.39(2) . . no
C32 H32 0.9300 . . no
C33 H33 0.9300 . . no
C34 H34 0.9300 . . no
C35 H35 0.9300 . . no
C36 H36 0.9300 . . no
C37 H37A 0.9600 . . no
C37 H37B 0.9600 . . no
C37 H37C 0.9600 . . no

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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S1 Gd1 C1 87.6(3) . . . yes
S1 Gd1 C2 101.0(4) . . . yes
S1 Gd1 C3 133.1(3) . . . yes
S1 Gd1 C4 134.1(3) . . . yes
S1 Gd1 C5 104.5(3) . . . yes
S1 Gd1 C7 113.09(15) . . . yes
S1 Gd1 C8 136.88(19) . . . yes
S1 Gd1 C9 118.6(2) . . . yes
S1 Gd1 C10 90.5(2) . . . yes
S1 Gd1 C11 87.87(17) . . . yes
S1 Gd1 C1A 122.2(7) . . . yes
S1 Gd1 C2A 91.8(4) . . . yes
S1 Gd1 C3A 78.9(5) . . . yes
S1 Gd1 C4A 97.5(6) . . . yes
S1 Gd1 C5A 125.6(6) . . . yes
S1 Gd1 S1 78.47(4) . . 3_557 yes
C1 Gd1 C2 27.5(5) . . . yes
C1 Gd1 C3 49.6(5) . . . yes
C1 Gd1 C4 49.1(4) . . . yes
C1 Gd1 C5 29.2(5) . . . yes
C1 Gd1 C7 117.6(4) . . . yes
C1 Gd1 C8 126.0(4) . . . yes
C1 Gd1 C9 153.6(4) . . . yes
C1 Gd1 C10 165.5(5) . . . yes
C1 Gd1 C11 135.9(5) . . . yes
S1 Gd1 C1 106.4(4) 3_557 . . yes
C2 Gd1 C3 32.1(5) . . . yes
C2 Gd1 C4 48.7(5) . . . yes
C2 Gd1 C5 47.0(4) . . . yes
C2 Gd1 C7 130.4(4) . . . yes
C2 Gd1 C8 121.2(4) . . . yes
C2 Gd1 C9 135.7(4) . . . yes
C2 Gd1 C10 165.0(4) . . . yes
C2 Gd1 C11 158.5(4) . . . yes
S1 Gd1 C2 85.7(3) 3_557 . . yes
C3 Gd1 C4 28.4(5) . . . yes
C3 Gd1 C5 48.5(5) . . . yes
C3 Gd1 C7 104.8(4) . . . yes
C3 Gd1 C8 89.3(4) . . . yes
C3 Gd1 C9 106.4(4) . . . yes
C3 Gd1 C10 135.9(4) . . . yes
C3 Gd1 C11 134.6(4) . . . yes
S1 Gd1 C3 94.5(3) 3_557 . . yes
C4 Gd1 C5 30.1(4) . . . yes
C4 Gd1 C7 81.9(4) . . . yes
C4 Gd1 C8 77.8(3) . . . yes
C4 Gd1 C9 104.8(4) . . . yes
C4 Gd1 C10 127.1(4) . . . yes
C4 Gd1 C11 111.6(4) . . . yes
S1 Gd1 C4 122.8(4) 3_557 . . yes
C5 Gd1 C7 89.0(3) . . . yes
C5 Gd1 C8 98.9(3) . . . yes
C5 Gd1 C9 129.3(4) . . . yes
C5 Gd1 C10 139.2(4) . . . yes
C5 Gd1 C11 112.0(4) . . . yes
S1 Gd1 C5 132.6(3) 3_557 . . yes
C7 Gd1 C8 31.4(2) . . . yes
C7 Gd1 C9 51.3(3) . . . yes
C7 Gd1 C10 50.5(2) . . . yes
C7 Gd1 C11 30.2(2) . . . yes
C1A Gd1 C7 112.1(7) . . . yes
C2A Gd1 C7 132.5(5) . . . yes
C3A Gd1 C7 113.3(5) . . . yes
C4A Gd1 C7 83.8(6) . . . yes
C5A Gd1 C7 80.4(6) . . . yes
S1 Gd1 C7 134.38(13) 3_557 . . yes
C8 Gd1 C9 30.7(3) . . . yes
C8 Gd1 C10 49.9(3) . . . yes
C8 Gd1 C11 49.6(3) . . . yes
C1A Gd1 C8 99.7(7) . . . yes
C2A Gd1 C8 129.3(5) . . . yes
C3A Gd1 C8 128.8(5) . . . yes
C4A Gd1 C8 99.1(6) . . . yes
C5A Gd1 C8 81.6(7) . . . yes
S1 Gd1 C8 110.69(18) 3_557 . . yes
C9 Gd1 C10 29.9(3) . . . yes
C9 Gd1 C11 49.3(3) . . . yes
C1A Gd1 C9 117.4(7) . . . yes
C2A Gd1 C9 146.1(5) . . . yes
C3A Gd1 C9 159.3(5) . . . yes
C4A Gd1 C9 129.7(6) . . . yes
C5A Gd1 C9 110.6(7) . . . yes
S1 Gd1 C9 83.8(2) 3_557 . . yes
C10 Gd1 C11 29.6(2) . . . yes
C1A Gd1 C10 146.9(7) . . . yes
C2A Gd1 C10 174.6(6) . . . yes
C3A Gd1 C10 155.0(5) . . . yes
C4A Gd1 C10 132.4(7) . . . yes
C5A Gd1 C10 129.0(7) . . . yes
S1 Gd1 C10 87.2(2) 3_557 . . yes
C1A Gd1 C11 142.3(7) . . . yes
C2A Gd1 C11 155.4(5) . . . yes
C3A Gd1 C11 126.4(5) . . . yes
C4A Gd1 C11 103.6(7) . . . yes
C5A Gd1 C11 108.8(6) . . . yes
S1 Gd1 C11 115.49(16) 3_557 . . yes
C1A Gd1 C2A 30.4(8) . . . yes
C1A Gd1 C3A 51.0(8) . . . yes
C1A Gd1 C4A 54.4(9) . . . yes
C1A Gd1 C5A 36.5(9) . . . yes
S1 Gd1 C1A 94.1(6) 3_557 . . yes
C2A Gd1 C3A 30.4(7) . . . yes
C2A Gd1 C4A 52.0(8) . . . yes
C2A Gd1 C5A 52.7(8) . . . yes
S1 Gd1 C2A 88.4(5) 3_557 . . yes
C3A Gd1 C4A 30.6(8) . . . yes
C3A Gd1 C5A 49.2(8) . . . yes
S1 Gd1 C3A 112.2(5) 3_557 . . yes
C4A Gd1 C5A 29.1(9) . . . yes
S1 Gd1 C4A 140.3(6) 3_557 . . yes
S1 Gd1 C5A 130.3(5) 3_557 . . yes
Gd1 S1 Si1 129.19(7) . . . yes
Gd1 S1 Gd1 101.53(5) . . 3_557 yes
Gd1 S1 Si1 129.11(7) 3_557 . . yes
S1 Si1 C13 110.89(17) . . . yes
S1 Si1 C19 107.95(19) . . . yes
S1 Si1 C25 107.6(4) . . . yes
S1 Si1 C25A 108.1(9) . . . yes
C13 Si1 C19 108.8(2) . . . yes
C13 Si1 C25 103.2(4) . . . yes
C13 Si1 C25A 115.1(9) . . . yes
C19 Si1 C25 118.4(4) . . . yes
C19 Si1 C25A 105.7(9) . . . yes
Gd1 C1 C2 75.2(8) . . . yes
Gd1 C1 C5 73.5(8) . . . yes
Gd1 C1 C6 122.1(10) . . . yes
C2 C1 C5 107.8(14) . . . no
C2 C1 C6 129.2(17) . . . no
C5 C1 C6 122.7(17) . . . no
C5A C1A C6A 128(3) . . . no
C2A C1A C6A 131(3) . . . no
Gd1 C1A C5A 69.8(14) . . . yes
Gd1 C1A C6A 125(2) . . . yes
Gd1 C1A C2A 74.9(15) . . . yes
C2A C1A C5A 100(2) . . . no
C1 C2 C3 108.7(14) . . . no
Gd1 C2 C1 77.2(9) . . . yes
Gd1 C2 C3 71.7(8) . . . yes
C1A C2A C3A 111(2) . . . no
Gd1 C2A C1A 74.8(15) . . . yes
Gd1 C2A C3A 75.5(13) . . . yes
C2 C3 C4 105.1(13) . . . no
Gd1 C3 C2 76.3(8) . . . yes
Gd1 C3 C4 75.8(9) . . . yes
Gd1 C3A C4A 73.5(14) . . . yes
C2A C3A C4A 112(2) . . . no
Gd1 C3A C2A 74.1(12) . . . yes
C3 C4 C5 109.4(14) . . . no
Gd1 C4 C3 75.8(9) . . . yes
Gd1 C4 C5 76.5(8) . . . yes
Gd1 C4A C5A 73.3(18) . . . yes
C3A C4A C5A 108(3) . . . no
Gd1 C4A C3A 75.9(14) . . . yes
Gd1 C5 C4 73.5(8) . . . yes
Gd1 C5 C1 77.4(8) . . . yes
C1 C5 C4 109.0(15) . . . no
C1A C5A C4A 109(3) . . . no
Gd1 C5A C4A 77.6(18) . . . yes
Gd1 C5A C1A 73.8(15) . . . yes
Gd1 C7 C12 123.6(4) . . . yes
C8 C7 C11 103.4(6) . . . no
C11 C7 C12 129.4(7) . . . no
Gd1 C7 C8 72.6(4) . . . yes
C8 C7 C12 126.7(6) . . . no
Gd1 C7 C11 74.0(4) . . . yes
Gd1 C8 C7 76.1(4) . . . yes
Gd1 C8 C9 73.9(5) . . . yes
C7 C8 C9 108.4(7) . . . no
Gd1 C9 C10 75.7(5) . . . yes
Gd1 C9 C8 75.4(4) . . . yes
C8 C9 C10 108.1(8) . . . no
Gd1 C10 C9 74.4(5) . . . yes
Gd1 C10 C11 76.3(4) . . . yes
C9 C10 C11 108.7(8) . . . no
C7 C11 C10 111.4(7) . . . no
Gd1 C11 C10 74.1(5) . . . yes
Gd1 C11 C7 75.8(4) . . . yes
Si1 C13 C14 119.7(4) . . . yes
Si1 C13 C18 122.5(5) . . . yes
C14 C13 C18 117.8(5) . . . no
C13 C14 C15 122.1(6) . . . no
C14 C15 C16 119.0(7) . . . no
C15 C16 C17 119.9(6) . . . no
C16 C17 C18 120.9(6) . . . no
C13 C18 C17 120.3(6) . . . no
Si1 C19 C24A 128.5(12) . . . yes
Si1 C19 C20 120.9(4) . . . yes
Si1 C19 C24 119.6(8) . . . yes
C20 C19 C24A 109.5(12) . . . no
C20 C19 C24 119.6(8) . . . no
C19 C20 C21 122.7(5) . . . no
C20 C21 C22 119.6(6) . . . no
C21 C22 C23A 128(2) . . . no
C21 C22 C23 116.7(11) . . . no
C22 C23 C24 124.5(17) . . . no
C22 C23A C24A 111(4) . . . no
C19 C24 C23 116.8(14) . . . no
C19 C24A C23A 128(3) . . . no
Si1 C25 C26 123.8(11) . . . yes
C26 C25 C30 114.5(12) . . . no
Si1 C25 C30 121.6(8) . . . yes
Si1 C25A C30A 113(2) . . . yes
Si1 C25A C26A 124(2) . . . yes
C26A C25A C30A 123(3) . . . no
C25 C26 C27 123.0(13) . . . no
C25A C26A C27A 118(2) . . . no
C26 C27 C28 119.2(13) . . . no
C26A C27A C28A 118(3) . . . no
C27 C28 C29 119.4(11) . . . no
C27A C28A C29A 126(3) . . . no
C28 C29 C30 119.7(10) . . . no
C28A C29A C30A 116(2) . . . no
C25 C30 C29 124.1(9) . . . no
C25A C30A C29A 120(2) . . . no
Gd1 C2 H2 117.00 . . . no
C1 C2 H2 126.00 . . . no
C3 C2 H2 126.00 . . . no
C1A C2A H2A 125.00 . . . no
C3A C2A H2A 125.00 . . . no
Gd1 C2A H2A 117.00 . . . no
Gd1 C3 H3 113.00 . . . no
C2 C3 H3 127.00 . . . no
C4 C3 H3 127.00 . . . no
C2A C3A H3A 124.00 . . . no
C4A C3A H3A 124.00 . . . no
Gd1 C3A H3A 121.00 . . . no
C5 C4 H4 125.00 . . . no
Gd1 C4 H4 114.00 . . . no
C3 C4 H4 125.00 . . . no
C3A C4A H4A 126.00 . . . no
C5A C4A H4A 126.00 . . . no
Gd1 C4A H4A 116.00 . . . no
C4 C5 H5 126.00 . . . no
Gd1 C5 H5 116.00 . . . no
C1 C5 H5 126.00 . . . no
Gd1 C5A H5A 115.00 . . . no
C1A C5A H5A 125.00 . . . no
C4A C5A H5A 126.00 . . . no
H6B C6 H6C 109.00 . . . no
H6A C6 H6C 109.00 . . . no
C1 C6 H6A 109.00 . . . no
C1 C6 H6B 110.00 . . . no
C1 C6 H6C 109.00 . . . no
H6A C6 H6B 109.00 . . . no
H6A1 C6A H6A2 109.00 . . . no
H6A1 C6A H6A3 109.00 . . . no
C1A C6A H6A3 110.00 . . . no
C1A C6A H6A2 109.00 . . . no
C1A C6A H6A1 110.00 . . . no
H6A2 C6A H6A3 109.00 . . . no
Gd1 C8 H8 116.00 . . . no
C7 C8 H8 126.00 . . . no
C9 C8 H8 126.00 . . . no
C8 C9 H9 126.00 . . . no
Gd1 C9 H9 115.00 . . . no
C10 C9 H9 126.00 . . . no
C11 C10 H10 126.00 . . . no
C9 C10 H10 126.00 . . . no
Gd1 C10 H10 116.00 . . . no
Gd1 C11 H11 117.00 . . . no
C7 C11 H11 124.00 . . . no
C10 C11 H11 124.00 . . . no
H12A C12 H12B 110.00 . . . no
H12A C12 H12C 109.00 . . . no
H12B C12 H12C 109.00 . . . no
C7 C12 H12C 109.00 . . . no
C7 C12 H12A 109.00 . . . no
C7 C12 H12B 109.00 . . . no
C13 C14 H14 119.00 . . . no
C15 C14 H14 119.00 . . . no
C14 C15 H15 121.00 . . . no
C16 C15 H15 120.00 . . . no
C17 C16 H16 120.00 . . . no
C15 C16 H16 120.00 . . . no
C16 C17 H17 119.00 . . . no
C18 C17 H17 120.00 . . . no
C13 C18 H18 120.00 . . . no
C17 C18 H18 120.00 . . . no
C21 C20 H20 119.00 . . . no
C19 C20 H20 119.00 . . . no
C20 C21 H21 120.00 . . . no
C22 C21 H21 120.00 . . . no
C21 C22 H22B 118.00 . . . no
C21 C22 H22A 122.00 . . . no
C23A C22 H22B 114.00 . . . no
C23 C22 H22A 122.00 . . . no
C22 C23 H23 118.00 . . . no
C24 C23 H23 118.00 . . . no
C22 C23A H23A 125.00 . . . no
C24A C23A H23A 124.00 . . . no
C19 C24 H24 122.00 . . . no
C23 C24 H24 122.00 . . . no
C19 C24A H24A 116.00 . . . no
C23A C24A H24A 116.00 . . . no
C25 C26 H26 118.00 . . . no
C27 C26 H26 119.00 . . . no
C27A C26A H26A 121.00 . . . no
C25A C26A H26A 121.00 . . . no
C26 C27 H27 120.00 . . . no
C28 C27 H27 120.00 . . . no
C26A C27A H27A 121.00 . . . no
C28A C27A H27A 121.00 . . . no
C27 C28 H28 120.00 . . . no
C29 C28 H28 120.00 . . . no
C27A C28A H28A 117.00 . . . no
C29A C28A H28A 116.00 . . . no
C28 C29 H29 120.00 . . . no
C30 C29 H29 120.00 . . . no
C28A C29A H29A 122.00 . . . no
C30A C29A H29A 122.00 . . . no
C29 C30 H30 118.00 . . . no
C25 C30 H30 118.00 . . . no
C25A C30A H30A 120.00 . . . no
C29A C30A H30A 120.00 . . . no
C32 C31 C36 120.0(12) . . . no
C32 C31 C37 121.5(14) . . . no
C36 C31 C37 118.4(14) . . . no
C31 C32 C33 120.0(11) . . . no
C32 C33 C34 120.0(12) . . . no
C33 C34 C35 120.0(12) . . . no
C34 C35 C36 120.0(12) . . . no
C31 C36 C35 120.0(12) . . . no
C31 C32 H32 120.00 . . . no
C33 C32 H32 120.00 . . . no
C32 C33 H33 120.00 . . . no
C34 C33 H33 120.00 . . . no
C33 C34 H34 120.00 . . . no
C35 C34 H34 120.00 . . . no
C34 C35 H35 120.00 . . . no
C36 C35 H35 120.00 . . . no
C31 C36 H36 120.00 . . . no
C35 C36 H36 120.00 . . . no
C31 C37 H37A 109.00 . . . no
C31 C37 H37B 109.00 . . . no
C31 C37 H37C 109.00 . . . no
H37A C37 H37B 109.00 . . . no
H37A C37 H37C 109.00 . . . no
H37B C37 H37C 110.00 . . . no

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
C1 Gd1 S1 Si1 77.1(5) . . . . no
C2 Gd1 S1 Si1 101.2(3) . . . . no
C3 Gd1 S1 Si1 99.0(5) . . . . no
C4 Gd1 S1 Si1 59.4(5) . . . . no
C5 Gd1 S1 Si1 53.1(3) . . . . no
C7 Gd1 S1 Si1 -42.07(17) . . . . no
C8 Gd1 S1 Si1 -67.6(3) . . . . no
C9 Gd1 S1 Si1 -99.3(3) . . . . no
C10 Gd1 S1 Si1 -88.6(2) . . . . no
C11 Gd1 S1 Si1 -59.07(18) . . . . no
S1 Gd1 S1 Si1 -175.63(10) 3_557 . . . no
C1 Gd1 S1 Gd1 -107.3(5) . . . 3_557 no
C2 Gd1 S1 Gd1 -83.2(3) . . . 3_557 no
C3 Gd1 S1 Gd1 -85.4(5) . . . 3_557 no
C4 Gd1 S1 Gd1 -125.0(5) . . . 3_557 no
C5 Gd1 S1 Gd1 -131.3(3) . . . 3_557 no
C7 Gd1 S1 Gd1 133.56(14) . . . 3_557 no
C8 Gd1 S1 Gd1 108.0(3) . . . 3_557 no
C9 Gd1 S1 Gd1 76.4(3) . . . 3_557 no
C10 Gd1 S1 Gd1 87.1(2) . . . 3_557 no
C11 Gd1 S1 Gd1 116.56(16) . . . 3_557 no
S1 Gd1 S1 Gd1 0.02(9) 3_557 . . 3_557 no
S1 Gd1 S1 Gd1 0.00(6) 3_557 3_557 . . no
C1 Gd1 S1 Gd1 -83.9(4) 3_557 3_557 . . no
C2 Gd1 S1 Gd1 -102.2(3) 3_557 3_557 . . no
C3 Gd1 S1 Gd1 -133.1(3) 3_557 3_557 . . no
C4 Gd1 S1 Gd1 -135.5(4) 3_557 3_557 . . no
C5 Gd1 S1 Gd1 -99.2(4) 3_557 3_557 . . no
C7 Gd1 S1 Gd1 111.1(2) 3_557 3_557 . . no
C8 Gd1 S1 Gd1 136.0(2) 3_557 3_557 . . no
C9 Gd1 S1 Gd1 120.9(2) 3_557 3_557 . . no
C10 Gd1 S1 Gd1 91.1(2) 3_557 3_557 . . no
C11 Gd1 S1 Gd1 81.99(19) 3_557 3_557 . . no
S1 Gd1 S1 Si1 175.63(10) 3_557 3_557 . . no
C1 Gd1 S1 Si1 91.7(4) 3_557 3_557 . . no
C2 Gd1 S1 Si1 73.4(4) 3_557 3_557 . . no
C3 Gd1 S1 Si1 42.6(4) 3_557 3_557 . . no
C4 Gd1 S1 Si1 40.2(4) 3_557 3_557 . . no
C5 Gd1 S1 Si1 76.5(4) 3_557 3_557 . . no
C7 Gd1 S1 Si1 -73.2(2) 3_557 3_557 . . no
C8 Gd1 S1 Si1 -48.4(2) 3_557 3_557 . . no
C9 Gd1 S1 Si1 -63.5(2) 3_557 3_557 . . no
C10 Gd1 S1 Si1 -93.3(2) 3_557 3_557 . . no
C11 Gd1 S1 Si1 -102.4(2) 3_557 3_557 . . no
C9 Gd1 C11 C10 36.9(5) . . . . no
S1 Gd1 C11 C10 -18.6(5) 3_557 . . . no
C11 Gd1 C5 C4 -95.6(9) . . . . no
S1 Gd1 C5 C4 83.3(9) 3_557 . . . no
S1 Gd1 C7 C8 -145.6(4) . . . . no
C1 Gd1 C7 C8 114.6(6) . . . . no
S1 Gd1 C1 C2 119.8(10) . . . . no
C3 Gd1 C1 C2 -39.2(10) . . . . no
C4 Gd1 C1 C2 -77.0(11) . . . . no
C5 Gd1 C1 C2 -114.0(15) . . . . no
C7 Gd1 C1 C2 -125.3(10) . . . . no
C8 Gd1 C1 C2 -89.5(11) . . . . no
C9 Gd1 C1 C2 -67.5(16) . . . . no
C11 Gd1 C1 C2 -155.8(9) . . . . no
S1 Gd1 C1 C2 42.6(10) 3_557 . . . no
S1 Gd1 C1 C5 -126.2(10) . . . . no
C2 Gd1 C1 C5 114.0(15) . . . . no
C3 Gd1 C1 C5 74.8(10) . . . . no
C4 Gd1 C1 C5 37.1(9) . . . . no
C7 Gd1 C1 C5 -11.3(12) . . . . no
C8 Gd1 C1 C5 24.5(13) . . . . no
C9 Gd1 C1 C5 46.5(19) . . . . no
C11 Gd1 C1 C5 -41.8(13) . . . . no
S1 Gd1 C1 C5 156.6(9) 3_557 . . . no
S1 Gd1 C1 C6 -7.6(14) . . . . no
C2 Gd1 C1 C6 -127(2) . . . . no
C3 Gd1 C1 C6 -166.6(18) . . . . no
C4 Gd1 C1 C6 155.7(18) . . . . no
C5 Gd1 C1 C6 119(2) . . . . no
C7 Gd1 C1 C6 107.3(14) . . . . no
C8 Gd1 C1 C6 143.1(12) . . . . no
C9 Gd1 C1 C6 165.1(10) . . . . no
C11 Gd1 C1 C6 76.8(15) . . . . no
S1 Gd1 C1 C6 -84.8(15) 3_557 . . . no
S1 Gd1 C7 C12 -172.0(5) 3_557 . . . no
S1 Gd1 C4 C5 -12.4(12) . . . . no
C1 Gd1 C4 C5 -36.0(10) . . . . no
C2 Gd1 C4 C5 -72.8(9) . . . . no
C3 Gd1 C4 C5 -114.4(14) . . . . no
C7 Gd1 C4 C5 102.1(9) . . . . no
C8 Gd1 C4 C5 133.7(10) . . . . no
C9 Gd1 C4 C5 148.4(9) . . . . no
C10 Gd1 C4 C5 126.0(8) . . . . no
C11 Gd1 C4 C5 96.8(9) . . . . no
S1 Gd1 C2 C1 -62.1(10) . . . . no
C3 Gd1 C2 C1 115.0(14) . . . . no
C4 Gd1 C2 C1 78.4(11) . . . . no
C5 Gd1 C2 C1 37.5(9) . . . . no
C7 Gd1 C2 C1 71.6(11) . . . . no
C8 Gd1 C2 C1 109.0(10) . . . . no
C9 Gd1 C2 C1 144.0(9) . . . . no
C11 Gd1 C2 C1 51.0(16) . . . . no
S1 Gd1 C2 C1 -139.4(10) 3_557 . . . no
S1 Gd1 C2 C3 -177.0(8) . . . . no
C1 Gd1 C2 C3 -115.0(14) . . . . no
C4 Gd1 C2 C3 -36.6(8) . . . . no
C5 Gd1 C2 C3 -77.4(9) . . . . no
C7 Gd1 C2 C3 -43.3(9) . . . . no
C8 Gd1 C2 C3 -6.0(9) . . . . no
C9 Gd1 C2 C3 29.1(10) . . . . no
C11 Gd1 C2 C3 -64.0(13) . . . . no
S1 Gd1 C2 C3 105.6(8) 3_557 . . . no
C10 Gd1 C8 C9 -36.8(6) . . . . no
C11 Gd1 C8 C9 -75.9(6) . . . . no
S1 Gd1 C8 C9 30.6(6) 3_557 . . . no
S1 Gd1 C3 C2 4.0(10) . . . . no
C1 Gd1 C3 C2 33.4(8) . . . . no
C4 Gd1 C3 C2 109.8(13) . . . . no
C5 Gd1 C3 C2 72.3(9) . . . . no
C7 Gd1 C3 C2 147.3(7) . . . . no
C8 Gd1 C3 C2 174.9(8) . . . . no
C9 Gd1 C3 C2 -159.3(7) . . . . no
C10 Gd1 C3 C2 -165.1(6) . . . . no
C11 Gd1 C3 C2 152.4(6) . . . . no
S1 Gd1 C3 C2 -74.4(8) 3_557 . . . no
S1 Gd1 C3 C4 -105.8(9) . . . . no
C1 Gd1 C3 C4 -76.5(10) . . . . no
C2 Gd1 C3 C4 -109.8(13) . . . . no
C5 Gd1 C3 C4 -37.5(9) . . . . no
C7 Gd1 C3 C4 37.5(10) . . . . no
C8 Gd1 C3 C4 65.1(9) . . . . no
C9 Gd1 C3 C4 90.9(9) . . . . no
C10 Gd1 C3 C4 85.1(10) . . . . no
C11 Gd1 C3 C4 42.6(11) . . . . no
S1 Gd1 C3 C4 175.8(9) 3_557 . . . no
C8 Gd1 C9 C10 -113.4(9) . . . . no
C11 Gd1 C9 C10 -36.5(5) . . . . no
S1 Gd1 C9 C10 95.2(5) 3_557 . . . no
S1 Gd1 C4 C3 102.0(9) . . . . no
C1 Gd1 C4 C3 78.5(11) . . . . no
C2 Gd1 C4 C3 41.7(9) . . . . no
C5 Gd1 C4 C3 114.4(14) . . . . no
C7 Gd1 C4 C3 -143.5(9) . . . . no
C8 Gd1 C4 C3 -111.9(9) . . . . no
C9 Gd1 C4 C3 -97.2(9) . . . . no
C10 Gd1 C4 C3 -119.6(9) . . . . no
C11 Gd1 C4 C3 -148.8(9) . . . . no
S1 Gd1 C4 C3 -5.0(10) 3_557 . . . no
C11 Gd1 C10 C9 114.3(8) . . . . no
S1 Gd1 C10 C9 -82.5(6) 3_557 . . . no
S1 Gd1 C10 C11 84.8(5) . . . . no
C3 Gd1 C10 C11 -103.1(7) . . . . no
C4 Gd1 C10 C11 -66.6(7) . . . . no
C5 Gd1 C10 C11 -28.3(8) . . . . no
C7 Gd1 C10 C11 -35.3(5) . . . . no
C8 Gd1 C10 C11 -76.5(5) . . . . no
C9 Gd1 C10 C11 -114.3(8) . . . . no
S1 Gd1 C4 C5 -119.4(8) 3_557 . . . no
C11 Gd1 C7 C8 -110.0(6) . . . . no
S1 Gd1 C8 C7 49.5(5) . . . . no
S1 Gd1 C11 C7 147.7(4) . . . . no
S1 Gd1 C5 C1 56.4(11) . . . . no
C2 Gd1 C5 C1 -35.3(11) . . . . no
C3 Gd1 C5 C1 -79.1(12) . . . . no
C4 Gd1 C5 C1 -114.5(15) . . . . no
C7 Gd1 C5 C1 170.0(11) . . . . no
C8 Gd1 C5 C1 -160.1(11) . . . . no
C9 Gd1 C5 C1 -155.4(10) . . . . no
C10 Gd1 C5 C1 164.6(10) . . . . no
C11 Gd1 C5 C1 150.0(10) . . . . no
S1 Gd1 C5 C1 -31.1(12) 3_557 . . . no
S1 Gd1 C5 C4 170.9(9) . . . . no
C1 Gd1 C5 C4 114.5(15) . . . . no
C2 Gd1 C5 C4 79.2(10) . . . . no
C3 Gd1 C5 C4 35.4(9) . . . . no
C7 Gd1 C5 C4 -75.5(9) . . . . no
C8 Gd1 C5 C4 -45.7(9) . . . . no
C9 Gd1 C5 C4 -40.9(11) . . . . no
C10 Gd1 C5 C4 -80.9(11) . . . . no
C11 Gd1 C7 C12 127.0(8) . . . . no
C8 Gd1 C10 C9 37.8(6) . . . . no
C5 Gd1 C7 C11 -140.9(5) . . . . no
S1 Gd1 C9 C8 135.3(5) . . . . no
C2 Gd1 C7 C8 84.9(6) . . . . no
C3 Gd1 C7 C8 62.8(5) . . . . no
C4 Gd1 C7 C8 79.8(5) . . . . no
C5 Gd1 C7 C8 109.1(5) . . . . no
C9 Gd1 C7 C8 -36.6(4) . . . . no
C10 Gd1 C7 C8 -75.5(4) . . . . no
S1 Gd1 C10 C11 163.3(5) 3_557 . . . no
S1 Gd1 C7 C8 -49.1(4) 3_557 . . . no
S1 Gd1 C7 C11 -35.5(4) . . . . no
C1 Gd1 C7 C11 -135.4(6) . . . . no
C2 Gd1 C7 C11 -165.1(5) . . . . no
C3 Gd1 C7 C11 172.8(5) . . . . no
C4 Gd1 C7 C11 -170.2(5) . . . . no
C4 Gd1 C8 C7 -94.5(5) . . . . no
C8 Gd1 C7 C11 110.0(6) . . . . no
C9 Gd1 C7 C11 73.4(5) . . . . no
C10 Gd1 C7 C11 34.6(4) . . . . no
S1 Gd1 C7 C11 61.0(5) 3_557 . . . no
S1 Gd1 C7 C12 91.5(6) . . . . no
C1 Gd1 C7 C12 -8.4(8) . . . . no
C2 Gd1 C7 C12 -38.1(8) . . . . no
C3 Gd1 C7 C12 -60.2(7) . . . . no
C4 Gd1 C7 C12 -43.2(7) . . . . no
C5 Gd1 C7 C12 -13.9(7) . . . . no
C8 Gd1 C7 C12 -123.0(8) . . . . no
C9 Gd1 C7 C12 -159.6(7) . . . . no
C10 Gd1 C7 C12 161.6(7) . . . . no
C8 Gd1 C11 C10 77.6(5) . . . . no
C7 Gd1 C10 C9 79.0(6) . . . . no
C5 Gd1 C8 C7 -73.0(5) . . . . no
C9 Gd1 C8 C7 114.2(7) . . . . no
C10 Gd1 C8 C7 77.5(5) . . . . no
C1 Gd1 C9 C8 -36.4(14) . . . . no
C2 Gd1 C9 C8 -74.1(8) . . . . no
C3 Gd1 C9 C8 -58.5(7) . . . . no
C4 Gd1 C9 C8 -29.0(7) . . . . no
C5 Gd1 C9 C8 -9.2(8) . . . . no
C7 Gd1 C9 C8 37.5(5) . . . . no
C10 Gd1 C9 C8 113.4(9) . . . . no
C11 Gd1 C9 C8 77.0(6) . . . . no
C1 Gd1 C8 C7 -84.8(7) . . . . no
C2 Gd1 C8 C7 -117.5(5) . . . . no
C3 Gd1 C8 C7 -120.7(5) . . . . no
C1 Gd1 C9 C10 -149.8(11) . . . . no
C2 Gd1 C9 C10 172.5(6) . . . . no
C3 Gd1 C9 C10 -171.9(6) . . . . no
C4 Gd1 C9 C10 -142.4(6) . . . . no
C11 Gd1 C8 C7 38.3(4) . . . . no
S1 Gd1 C8 C7 144.8(3) 3_557 . . . no
S1 Gd1 C8 C9 -64.7(7) . . . . no
C1 Gd1 C8 C9 161.0(8) . . . . no
C2 Gd1 C8 C9 128.3(6) . . . . no
C3 Gd1 C8 C9 125.1(7) . . . . no
C4 Gd1 C8 C9 151.3(7) . . . . no
C5 Gd1 C8 C9 172.8(7) . . . . no
C7 Gd1 C8 C9 -114.2(7) . . . . no
C5 Gd1 C11 C10 160.5(6) . . . . no
C7 Gd1 C11 C10 117.6(7) . . . . no
C5 Gd1 C10 C9 86.0(8) . . . . no
C10 Gd1 C11 C7 -117.6(7) . . . . no
C1 Gd1 C11 C7 63.4(7) . . . . no
C2 Gd1 C11 C7 32.3(11) . . . . no
C5 Gd1 C9 C10 -122.6(6) . . . . no
C7 Gd1 C9 C10 -75.9(6) . . . . no
C8 Gd1 C11 C7 -40.0(4) . . . . no
C9 Gd1 C11 C7 -80.8(5) . . . . no
C4 Gd1 C11 C10 128.1(6) . . . . no
S1 Gd1 C11 C7 -136.2(4) 3_557 . . . no
S1 Gd1 C11 C10 -94.7(5) . . . . no
C1 Gd1 C11 C10 -179.0(6) . . . . no
S1 Gd1 C10 C9 -160.9(6) . . . . no
S1 Gd1 C9 C8 -151.4(6) 3_557 . . . no
S1 Gd1 C9 C10 21.9(6) . . . . no
C4 Gd1 C10 C9 47.7(8) . . . . no
C3 Gd1 C11 C10 107.8(7) . . . . no
C4 Gd1 C11 C7 10.5(6) . . . . no
C5 Gd1 C11 C7 42.9(5) . . . . no
C3 Gd1 C11 C7 -9.8(7) . . . . no
C2 Gd1 C11 C10 149.9(10) . . . . no
C3 Gd1 C10 C9 11.2(8) . . . . no
Gd1 S1 Si1 C19 -147.94(18) . . . . no
Gd1 S1 Si1 C25 166.4(4) 3_557 . . . no
Gd1 S1 Si1 C13 93.01(18) . . . . no
Gd1 S1 Si1 C19 37.6(2) 3_557 . . . no
Gd1 S1 Si1 C13 -81.46(19) 3_557 . . . no
Gd1 S1 Si1 C25 -19.1(4) . . . . no
S1 Si1 C25 C30 78.0(11) . . . . no
C19 Si1 C25 C26 24.3(13) . . . . no
C13 Si1 C25 C26 144.4(11) . . . . no
S1 Si1 C13 C14 174.8(4) . . . . no
S1 Si1 C19 C24 79.3(10) . . . . no
C19 Si1 C25 C30 -159.4(9) . . . . no
C13 Si1 C25 C30 -39.3(12) . . . . no
C19 Si1 C13 C14 56.3(5) . . . . no
S1 Si1 C13 C18 -6.8(5) . . . . no
C19 Si1 C13 C18 -125.3(5) . . . . no
C25 Si1 C13 C18 108.2(6) . . . . no
S1 Si1 C25 C26 -98.4(12) . . . . no
C25 Si1 C13 C14 -70.2(6) . . . . no
C13 Si1 C19 C24 -160.3(10) . . . . no
C25 Si1 C19 C24 -43.2(12) . . . . no
C25 Si1 C19 C20 136.1(6) . . . . no
S1 Si1 C19 C20 -101.4(5) . . . . no
C13 Si1 C19 C20 19.0(5) . . . . no
C2 C1 C5 C4 0.7(17) . . . . no
C2 C1 C5 Gd1 68.0(11) . . . . no
C6 C1 C5 C4 174.7(14) . . . . no
C6 C1 C5 Gd1 -117.9(15) . . . . no
Gd1 C1 C5 C4 -67.3(10) . . . . no
C6 C1 C2 Gd1 119.7(16) . . . . no
C6 C1 C2 C3 -175.0(14) . . . . no
Gd1 C1 C2 C3 65.3(10) . . . . no
C5 C1 C2 Gd1 -66.8(11) . . . . no
C5 C1 C2 C3 -1.5(17) . . . . no
C1 C2 C3 Gd1 -69.0(11) . . . . no
C1 C2 C3 C4 1.8(18) . . . . no
Gd1 C2 C3 C4 70.8(11) . . . . no
C2 C3 C4 Gd1 -71.2(10) . . . . no
Gd1 C3 C4 C5 69.9(11) . . . . no
C2 C3 C4 C5 -1.4(17) . . . . no
C3 C4 C5 Gd1 -69.4(11) . . . . no
Gd1 C4 C5 C1 69.9(11) . . . . no
C3 C4 C5 C1 0.5(18) . . . . no
C12 C7 C11 Gd1 -120.6(7) . . . . no
C8 C7 C11 Gd1 67.1(5) . . . . no
C11 C7 C8 Gd1 -68.2(5) . . . . no
C12 C7 C11 C10 173.1(7) . . . . no
C8 C7 C11 C10 0.8(8) . . . . no
Gd1 C7 C11 C10 -66.3(6) . . . . no
C12 C7 C8 C9 -173.3(7) . . . . no
C11 C7 C8 C9 -0.7(8) . . . . no
C12 C7 C8 Gd1 119.3(7) . . . . no
Gd1 C7 C8 C9 67.5(6) . . . . no
Gd1 C8 C9 C10 69.3(6) . . . . no
C7 C8 C9 Gd1 -68.9(5) . . . . no
C7 C8 C9 C10 0.4(10) . . . . no
C8 C9 C10 Gd1 -69.1(6) . . . . no
Gd1 C9 C10 C11 69.2(6) . . . . no
C8 C9 C10 C11 0.2(10) . . . . no
Gd1 C10 C11 C7 67.4(5) . . . . no
C9 C10 C11 Gd1 -68.0(6) . . . . no
C9 C10 C11 C7 -0.6(10) . . . . no
C18 C13 C14 C15 1.3(9) . . . . no
Si1 C13 C14 C15 179.8(5) . . . . no
C14 C13 C18 C17 -1.8(8) . . . . no
Si1 C13 C18 C17 179.8(5) . . . . no
C13 C14 C15 C16 -0.8(9) . . . . no
C14 C15 C16 C17 0.6(9) . . . . no
C15 C16 C17 C18 -1.1(10) . . . . no
C16 C17 C18 C13 1.7(9) . . . . no
Si1 C19 C20 C21 177.2(5) . . . . no
C20 C19 C24 C23 6(2) . . . . no
C24 C19 C20 C21 -3.5(13) . . . . no
Si1 C19 C24 C23 -174.5(15) . . . . no
C19 C20 C21 C22 -1.0(10) . . . . no
C20 C21 C22 C23 2.3(16) . . . . no
C21 C22 C23 C24 1(3) . . . . no
C22 C23 C24 C19 -5(3) . . . . no
Si1 C25 C26 C27 175.3(13) . . . . no
C30 C25 C26 C27 -1(2) . . . . no
Si1 C25 C30 C29 -175.6(10) . . . . no
C26 C25 C30 C29 1.0(19) . . . . no
C25 C26 C27 C28 -1(2) . . . . no
C26 C27 C28 C29 4(2) . . . . no
C27 C28 C29 C30 -4.0(19) . . . . no
C28 C29 C30 C25 1.5(19) . . . . no
C36 C31 C32 C33 0(2) . . . . no
C37 C31 C32 C33 -175.7(14) . . . . no
C32 C31 C36 C35 0(2) . . . . no
C37 C31 C36 C35 175.7(14) . . . . no
C31 C32 C33 C34 0.1(19) . . . . no
C32 C33 C34 C35 0(2) . . . . no
C33 C34 C35 C36 0(2) . . . . no
C34 C35 C36 C31 0.1(19) . . . . no