# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_pc22
_database_code_depnum_ccdc_archive 'CCDC 1829110'
_audit_update_record             
;
2018-03-12 deposited with the CCDC.
2018-12-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C68 H66 Dy2 F42 N4 O12'
_chemical_formula_weight         2254.24

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'
F F 0.0171 0.0103 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   11.7327(10)
_cell_length_b                   13.5801(12)
_cell_length_c                   14.5983(12)
_cell_angle_alpha                71.026(4)
_cell_angle_beta                 88.785(4)
_cell_angle_gamma                77.839(4)
_cell_volume                     2147.4(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8358
_cell_measurement_theta_min      1.624
_cell_measurement_theta_max      28.321

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.743
_exptl_crystal_F_000             1108
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.439
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.084
_exptl_absorpt_coefficient_mu    1.875
_shelx_estimated_absorpt_T_min   0.493
_shelx_estimated_absorpt_T_max   0.858
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4933
_exptl_absorpt_correction_T_max  0.8584
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36989
_diffrn_reflns_av_unetI/netI     0.0397
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.624
_diffrn_reflns_theta_max         28.321
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             10481
_reflns_number_gt                8358
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1751P)²]
 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         10481
_refine_ls_number_parameters     658
_refine_ls_number_restraints     386
_refine_ls_R_factor_all          0.0933
_refine_ls_R_factor_gt           0.0743
_refine_ls_wR_factor_ref         0.2340
_refine_ls_wR_factor_gt          0.2154
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_restrained_S_all      1.149
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.004

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 0.64054(2) 0.88648(2) 0.72141(2) 0.04026(14) Uani 1 1 d . . . . .
N1 N 0.4565(5) 0.9152(5) 0.6116(4) 0.0453(12) Uani 1 1 d . . . . .
O1 O 0.5996(5) 0.7196(4) 0.7491(4) 0.0574(13) Uani 1 1 d . . . . .
N2 N 0.6494(5) 0.9866(5) 0.5384(4) 0.0453(12) Uani 1 1 d . . . . .
O2 O 0.7928(5) 0.7883(5) 0.6653(4) 0.0614(14) Uani 1 1 d . . . . .
O3 O 0.4991(5) 0.8826(4) 0.8315(4) 0.0548(12) Uani 1 1 d . . . . .
O4 O 0.5360(5) 1.0595(4) 0.6919(4) 0.0537(12) Uani 1 1 d . . . . .
O5 O 0.7460(5) 0.8011(4) 0.8682(4) 0.0562(13) Uani 1 1 d . . . . .
O6 O 0.7855(4) 0.9769(4) 0.7220(4) 0.0546(12) Uani 1 1 d . . . . .
C1 C 0.4469(6) 0.9788(6) 0.5210(5) 0.0420(14) Uani 1 1 d . . . . .
C2 C 0.3607(7) 0.8793(7) 0.6479(5) 0.0535(17) Uani 1 1 d . . . . .
H2 H 0.3647 0.8299 0.7117 0.064 Uiso 1 1 calc R U . . .
C3 C 0.2580(7) 0.9135(8) 0.5935(6) 0.061(2) Uani 1 1 d . . . . .
H3 H 0.1891 0.8920 0.6201 0.073 Uiso 1 1 calc R U . . .
C4 C 0.7431(6) 1.0194(7) 0.5017(5) 0.0545(17) Uani 1 1 d . . . . .
H4 H 0.8134 0.9968 0.5410 0.065 Uiso 1 1 calc R U . . .
C5 C 0.6588(11) 0.6265(8) 0.7562(9) 0.077(3) Uani 1 1 d . . . . .
C6 C 0.7663(16) 0.6066(10) 0.7281(13) 0.129(6) Uani 1 1 d . . . . .
H6 H 0.8047 0.5346 0.7383 0.155 Uiso 1 1 calc R U . . .
C7 C 0.8263(13) 0.6878(11) 0.6835(13) 0.107(5) Uani 1 1 d . . . . .
C8 C 0.4169(9) 0.9433(8) 0.8579(9) 0.075(3) Uani 1 1 d . . . . .
C9 C 0.3809(11) 1.0527(9) 0.7991(10) 0.094(4) Uani 1 1 d . . . . .
H9 H 0.3091 1.0932 0.8110 0.112 Uiso 1 1 calc R U . . .
C10 C 0.4438(11) 1.0995(8) 0.7289(10) 0.086(3) Uani 1 1 d . . . . .
C11 C 0.8444(8) 0.7961(7) 0.9036(6) 0.060(2) Uani 1 1 d . . . . .
C12 C 0.9130(8) 0.8715(9) 0.8596(7) 0.075(3) Uani 1 1 d . . . . .
H12 H 0.9853 0.8659 0.8911 0.090 Uiso 1 1 calc R U . . .
C13 C 0.8797(7) 0.9521(8) 0.7738(7) 0.062(2) Uani 1 1 d . . . . .
C14 C 0.8835(9) 0.7046(8) 1.0011(7) 0.076(3) Uani 1 1 d . . . . .
C15 C 0.8471(14) 0.6021(10) 0.9877(11) 0.121(5) Uani 1 1 d . U . . .
H15A H 0.8896 0.5841 0.9348 0.181 Uiso 1 1 calc R U . . .
H15B H 0.7630 0.6183 0.9722 0.181 Uiso 1 1 calc R U . . .
H15C H 0.8666 0.5417 1.0480 0.181 Uiso 1 1 calc R U . . .
C16 C 0.8227(12) 0.7389(11) 1.0800(8) 0.098(4) Uani 1 1 d . U . . .
H16A H 0.7381 0.7527 1.0679 0.146 Uiso 1 1 calc R U . . .
H16B H 0.8446 0.8042 1.0815 0.146 Uiso 1 1 calc R U . . .
H16C H 0.8455 0.6825 1.1425 0.146 Uiso 1 1 calc R U . . .
C17 C 1.0157(11) 0.6824(12) 1.0249(10) 0.104(4) Uani 1 1 d . U . . .
H17A H 1.0588 0.6608 0.9738 0.155 Uiso 1 1 calc R U . . .
H17B H 1.0359 0.6252 1.0872 0.155 Uiso 1 1 calc R U . . .
H17C H 1.0366 0.7472 1.0287 0.155 Uiso 1 1 calc R U . . .
C18 C 0.3544(9) 0.8894(8) 0.9519(9) 0.097(4) Uani 1 1 d D . . . .
C19 C 0.2661(17) 0.9713(12) 0.9840(13) 0.146(7) Uani 1 1 d D U . . .
H19A H 0.2063 1.0109 0.9317 0.219 Uiso 1 1 calc R U . . .
H19B H 0.3066 1.0211 0.9986 0.219 Uiso 1 1 calc R U . . .
H19C H 0.2291 0.9342 1.0421 0.219 Uiso 1 1 calc R U . . .
C20 C 0.4519(10) 0.8262(11) 1.0330(8) 0.088(3) Uani 1 1 d D U . . .
H20A H 0.5072 0.7744 1.0111 0.132 Uiso 1 1 calc R U . . .
H20B H 0.4167 0.7885 1.0919 0.132 Uiso 1 1 calc R U . . .
H20C H 0.4932 0.8758 1.0468 0.132 Uiso 1 1 calc R U . . .
C21 C 0.2966(13) 0.8122(12) 0.9230(13) 0.115(5) Uani 1 1 d D U . . .
H21A H 0.3565 0.7603 0.9051 0.172 Uiso 1 1 calc R U . . .
H21B H 0.2412 0.8521 0.8675 0.172 Uiso 1 1 calc R U . . .
H21C H 0.2550 0.7746 0.9777 0.172 Uiso 1 1 calc R U . . .
C22 C 0.9647(9) 1.0298(10) 0.7297(8) 0.083(3) Uani 1 1 d . U . . .
F1 F 1.0780(6) 0.9792(7) 0.7615(6) 0.117(3) Uani 1 1 d . U . . .
F2 F 0.9680(8) 1.0450(9) 0.6344(6) 0.138(3) Uani 1 1 d . U . . .
C23 C 0.9445(13) 1.1294(12) 0.7576(11) 0.106(4) Uani 1 1 d D U . . .
F3 F 0.9681(7) 1.1044(7) 0.8505(6) 0.111(2) Uani 1 1 d . U . . .
C24 C 0.955(2) 1.2401(15) 0.7096(15) 0.117(6) Uani 0.3 1 d D U P A 1
F5 F 1.0595(16) 1.1822(15) 0.6995(13) 0.129(4) Uani 0.5 1 d D U P A 1
F6 F 0.9270(16) 1.2943(15) 0.6225(13) 0.129(4) Uani 0.5 1 d D U P A 1
F7 F 0.9594(18) 1.3023(16) 0.7557(12) 0.129(5) Uani 0.5 1 d D U P A 1
C24A C 0.844(2) 1.1989(16) 0.7021(12) 0.117(6) Uani 0.7 1 d D U P A 2
F5A F 0.8096(11) 1.2008(12) 0.6166(10) 0.093(4) Uani 0.5 1 d D U P A 2
F6A F 0.838(2) 1.2898(15) 0.7176(18) 0.140(7) Uani 0.5 1 d D U P A 2
F7A F 0.7756(11) 1.1690(8) 0.7643(8) 0.076(3) Uani 0.5 1 d D U P A 2
C25 C 0.5914(12) 0.5345(9) 0.7993(9) 0.095(3) Uani 1 1 d D U . . .
C26 C 0.4852(18) 0.571(2) 0.8541(19) 0.100(8) Uani 0.5 1 d D U P B 1
H26A H 0.4295 0.6300 0.8084 0.150 Uiso 0.5 1 calc R U P B 1
H26B H 0.5116 0.5958 0.9046 0.150 Uiso 0.5 1 calc R U P B 1
H26C H 0.4472 0.5117 0.8841 0.150 Uiso 0.5 1 calc R U P B 1
C27 C 0.684(2) 0.444(2) 0.8697(19) 0.124(9) Uani 0.6 1 d D U P B 1
H27A H 0.7260 0.3979 0.8350 0.185 Uiso 0.6 1 calc R U P B 1
H27B H 0.6446 0.4018 0.9236 0.185 Uiso 0.6 1 calc R U P B 1
H27C H 0.7388 0.4751 0.8951 0.185 Uiso 0.6 1 calc R U P B 1
C28 C 0.545(3) 0.491(3) 0.723(2) 0.174(13) Uani 0.6 1 d D U P B 1
H28A H 0.6084 0.4415 0.7064 0.261 Uiso 0.6 1 calc R U P B 1
H28B H 0.5141 0.5513 0.6640 0.261 Uiso 0.6 1 calc R U P B 1
H28C H 0.4820 0.4546 0.7502 0.261 Uiso 0.6 1 calc R U P B 1
C26A C 0.682(3) 0.441(2) 0.778(2) 0.143(9) Uani 0.65 1 d D U P B 2
H26D H 0.6722 0.4458 0.7100 0.215 Uiso 0.65 1 calc R U P B 2
H26E H 0.6691 0.3717 0.8201 0.215 Uiso 0.65 1 calc R U P B 2
H26F H 0.7621 0.4462 0.7908 0.215 Uiso 0.65 1 calc R U P B 2
C28A C 0.600(3) 0.511(3) 0.9144(14) 0.155(10) Uani 0.65 1 d D U P B 2
H28D H 0.5577 0.4550 0.9467 0.232 Uiso 0.65 1 calc R U P B 2
H28E H 0.5666 0.5757 0.9291 0.232 Uiso 0.65 1 calc R U P B 2
H28F H 0.6827 0.4861 0.9376 0.232 Uiso 0.65 1 calc R U P B 2
C29 C 0.9423(17) 0.6600(15) 0.6419(14) 0.122(5) Uani 1 1 d . U . . .
F8 F 0.9400(12) 0.7123(13) 0.5426(12) 0.202(4) Uani 1 1 d . U . . .
F9 F 0.9742(12) 0.5445(13) 0.6541(11) 0.202(4) Uani 1 1 d . U . . .
C30 C 1.0298(18) 0.6746(17) 0.6936(15) 0.134(4) Uani 1 1 d . U . . .
F10 F 1.0358(8) 0.7737(10) 0.6769(10) 0.144(4) Uani 1 1 d . U . . .
F11 F 1.0282(10) 0.6357(13) 0.7825(10) 0.185(5) Uani 1 1 d . U . . .
C31 C 1.1553(18) 0.6281(12) 0.6758(10) 0.134(4) Uani 1 1 d D U . . .
F12 F 1.1733(11) 0.6506(11) 0.5801(9) 0.198(4) Uani 1 1 d D U . . .
F13 F 1.2010(13) 0.5237(9) 0.7111(10) 0.201(5) Uani 1 1 d D U . . .
F14 F 1.2362(13) 0.6737(12) 0.7039(10) 0.198(4) Uani 1 1 d D U . . .
C32 C 0.4139(15) 1.2265(12) 0.6934(10) 0.069(4) Uani 0.6 1 d D U P C 1
F15 F 0.3367(10) 1.2770(10) 0.7379(10) 0.102(3) Uani 0.6 1 d D U P C 1
F16 F 0.5202(10) 1.2681(9) 0.7025(10) 0.102(3) Uani 0.6 1 d D U P C 1
C33 C 0.3768(13) 1.2629(12) 0.5875(10) 0.090(5) Uani 0.6 1 d D U P C 1
F17 F 0.4709(15) 1.2520(12) 0.5335(10) 0.123(5) Uani 0.6 1 d D U P C 1
F18 F 0.3066(16) 1.1985(13) 0.5799(12) 0.099(5) Uani 0.6 1 d D U P C 1
C34 C 0.3112(16) 1.3770(13) 0.5512(12) 0.089(7) Uani 0.6 1 d D U P C 1
F19 F 0.2037(14) 1.3980(12) 0.5846(12) 0.142(5) Uani 0.6 1 d D U P C 1
F20 F 0.3766(17) 1.4421(15) 0.5664(13) 0.152(4) Uani 0.6 1 d D U P C 1
F21 F 0.3006(19) 1.4124(15) 0.4547(12) 0.152(4) Uani 0.6 1 d D U P C 1
C32A C 0.3576(17) 1.1926(14) 0.6528(15) 0.060(5) Uani 0.4 1 d D U P C 2
F15A F 0.256(2) 1.241(2) 0.6830(17) 0.130(7) Uani 0.4 1 d . U P C 2
F16A F 0.344(3) 1.185(3) 0.557(2) 0.116(11) Uani 0.4 1 d . U P C 2
C33A C 0.4116(16) 1.2870(15) 0.6259(14) 0.085(7) Uani 0.4 1 d D U P C 2
F17A F 0.437(2) 1.3078(19) 0.7069(12) 0.134(6) Uani 0.4 1 d D U P C 2
F18A F 0.356(3) 1.3778(18) 0.5579(16) 0.134(6) Uani 0.4 1 d D U P C 2
C34A C 0.5303(16) 1.2859(15) 0.5905(13) 0.073(6) Uani 0.4 1 d D U P C 2
F19A F 0.543(2) 1.2467(18) 0.5160(15) 0.137(6) Uani 0.4 1 d D U P C 2
F20A F 0.568(2) 1.3766(16) 0.5432(16) 0.138(8) Uani 0.4 1 d D U P C 2
F21A F 0.6339(19) 1.2291(17) 0.6361(16) 0.137(6) Uani 0.4 1 d D U P C 2


_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 O3 2.282(5) . ?
Dy1 O2 2.298(5) . ?
Dy1 O6 2.300(5) . ?
Dy1 O5 2.315(5) . ?
Dy1 O4 2.315(5) . ?
Dy1 O1 2.320(5) . ?
Dy1 N2 2.585(6) . ?
Dy1 N1 2.602(5) . ?
N1 C1 1.315(9) . ?
N1 C2 1.349(9) . ?
O1 C5 1.280(11) . ?
N2 C4 1.313(9) . ?
N2 C1 1.342(8) 2_676 ?
O2 C7 1.277(15) . ?
O3 C8 1.271(10) . ?
O4 C10 1.294(12) . ?
O5 C11 1.255(10) . ?
O6 C13 1.272(10) . ?
C1 N2 1.342(8) 2_676 ?
C1 C1 1.517(13) 2_676 ?
C2 C3 1.364(11) . ?
C3 C4 1.391(11) 2_676 ?
C4 C3 1.391(11) 2_676 ?
C5 C6 1.319(19) . ?
C5 C25 1.571(17) . ?
C6 C7 1.41(2) . ?
C7 C29 1.50(2) . ?
C8 C9 1.430(15) . ?
C8 C18 1.577(15) . ?
C9 C10 1.319(16) . ?
C10 C32A 1.57(2) . ?
C10 C32 1.593(18) . ?
C11 C12 1.417(14) . ?
C11 C14 1.554(12) . ?
C12 C13 1.368(14) . ?
C13 C22 1.579(13) . ?
C14 C16 1.492(15) . ?
C14 C17 1.542(16) . ?
C14 C15 1.609(19) . ?
C18 C19 1.537(8) . ?
C18 C21 1.530(13) . ?
C18 C20 1.558(13) . ?
C22 F2 1.340(13) . ?
C22 F1 1.374(13) . ?
C22 C23 1.51(2) . ?
C23 F3 1.307(16) . ?
C23 C24A 1.41(3) . ?
C23 C24 1.466(18) . ?
C24 F7 1.250(16) . ?
C24 F6 1.254(16) . ?
C24 F5 1.347(7) . ?
C24A F7A 1.228(16) . ?
C24A F5A 1.313(16) . ?
C24A F6A 1.313(16) . ?
C25 C27 1.550(17) . ?
C25 C26 1.549(9) . ?
C25 C28 1.576(17) . ?
C25 C26A 1.593(16) . ?
C25 C28A 1.605(17) . ?
C29 C30 1.37(3) . ?
C29 F8 1.39(2) . ?
C29 F9 1.49(2) . ?
C30 F11 1.23(2) . ?
C30 F10 1.30(2) . ?
C30 C31 1.53(3) . ?
C31 F13 1.334(14) . ?
C31 F12 1.352(14) . ?
C31 F14 1.371(15) . ?
C32 F15 1.309(19) . ?
C32 F16 1.50(2) . ?
C32 C33 1.505(10) . ?
C33 F18 1.351(10) . ?
C33 F17 1.354(10) . ?
C33 C34 1.501(10) . ?
C34 F21 1.332(10) . ?
C34 F19 1.349(10) . ?
C34 F20 1.357(10) . ?
C32A F15A 1.37(3) . ?
C32A F16A 1.44(4) . ?
C32A C33A 1.484(10) . ?
C33A F18A 1.350(10) . ?
C33A F17A 1.355(10) . ?
C33A C34A 1.474(10) . ?
C34A F21A 1.350(18) . ?
C34A F19A 1.351(9) . ?
C34A F20A 1.361(18) . ?

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
O3 Dy1 O2 146.18(19) . . ?
O3 Dy1 O6 120.0(2) . . ?
O2 Dy1 O6 78.9(2) . . ?
O3 Dy1 O5 77.23(19) . . ?
O2 Dy1 O5 82.9(2) . . ?
O6 Dy1 O5 73.27(19) . . ?
O3 Dy1 O4 72.12(18) . . ?
O2 Dy1 O4 141.7(2) . . ?
O6 Dy1 O4 77.67(19) . . ?
O5 Dy1 O4 118.1(2) . . ?
O3 Dy1 O1 77.6(2) . . ?
O2 Dy1 O1 72.9(2) . . ?
O6 Dy1 O1 144.8(2) . . ?
O5 Dy1 O1 82.68(19) . . ?
O4 Dy1 O1 137.2(2) . . ?
O3 Dy1 N2 134.85(19) . . ?
O2 Dy1 N2 73.0(2) . . ?
O6 Dy1 N2 78.58(18) . . ?
O5 Dy1 N2 145.90(19) . . ?
O4 Dy1 N2 72.96(19) . . ?
O1 Dy1 N2 111.7(2) . . ?
O3 Dy1 N1 79.46(19) . . ?
O2 Dy1 N1 106.9(2) . . ?
O6 Dy1 N1 136.25(18) . . ?
O5 Dy1 N1 149.58(19) . . ?
O4 Dy1 N1 71.93(19) . . ?
O1 Dy1 N1 73.39(19) . . ?
N2 Dy1 N1 63.01(18) . . ?
C1 N1 C2 116.8(6) . . ?
C1 N1 Dy1 120.7(4) . . ?
C2 N1 Dy1 121.9(4) . . ?
C5 O1 Dy1 135.8(7) . . ?
C4 N2 C1 116.3(6) . 2_676 ?
C4 N2 Dy1 121.8(4) . . ?
C1 N2 Dy1 121.2(4) 2_676 . ?
C7 O2 Dy1 131.1(7) . . ?
C8 O3 Dy1 141.8(6) . . ?
C10 O4 Dy1 132.6(6) . . ?
C11 O5 Dy1 137.4(6) . . ?
C13 O6 Dy1 132.2(5) . . ?
N1 C1 N2 126.6(6) . 2_676 ?
N1 C1 C1 117.7(7) . 2_676 ?
N2 C1 C1 115.7(7) 2_676 2_676 ?
N1 C2 C3 120.4(7) . . ?
C2 C3 C4 118.3(7) . 2_676 ?
N2 C4 C3 121.5(6) . 2_676 ?
O1 C5 C6 124.5(11) . . ?
O1 C5 C25 114.4(10) . . ?
C6 C5 C25 121.1(10) . . ?
C5 C6 C7 122.4(11) . . ?
O2 C7 C6 129.1(11) . . ?
O2 C7 C29 111.5(13) . . ?
C6 C7 C29 119.2(13) . . ?
O3 C8 C9 119.5(9) . . ?
O3 C8 C18 116.6(8) . . ?
C9 C8 C18 123.8(8) . . ?
C10 C9 C8 122.4(10) . . ?
O4 C10 C9 130.3(10) . . ?
O4 C10 C32A 113.8(12) . . ?
C9 C10 C32A 107.2(12) . . ?
O4 C10 C32 113.6(10) . . ?
C9 C10 C32 115.5(10) . . ?
O5 C11 C12 122.1(8) . . ?
O5 C11 C14 115.5(9) . . ?
C12 C11 C14 122.3(8) . . ?
C13 C12 C11 122.8(7) . . ?
O6 C13 C12 129.0(8) . . ?
O6 C13 C22 112.4(8) . . ?
C12 C13 C22 118.6(8) . . ?
C16 C14 C17 107.1(11) . . ?
C16 C14 C11 107.7(8) . . ?
C17 C14 C11 112.5(9) . . ?
C16 C14 C15 113.6(10) . . ?
C17 C14 C15 110.9(10) . . ?
C11 C14 C15 105.2(9) . . ?
C19 C18 C21 112.5(13) . . ?
C19 C18 C20 110.8(12) . . ?
C21 C18 C20 110.1(11) . . ?
C19 C18 C8 112.4(9) . . ?
C21 C18 C8 103.7(10) . . ?
C20 C18 C8 107.0(9) . . ?
F2 C22 F1 101.9(10) . . ?
F2 C22 C23 115.6(11) . . ?
F1 C22 C23 104.6(10) . . ?
F2 C22 C13 108.0(8) . . ?
F1 C22 C13 110.2(9) . . ?
C23 C22 C13 115.6(10) . . ?
F3 C23 C24A 128.0(16) . . ?
F3 C23 C24 108.5(14) . . ?
F3 C23 C22 109.9(12) . . ?
C24A C23 C22 106.6(12) . . ?
C24 C23 C22 135.5(14) . . ?
F7 C24 F6 108.4(17) . . ?
F7 C24 F5 114(2) . . ?
F6 C24 F5 99.8(16) . . ?
F7 C24 C23 122(2) . . ?
F6 C24 C23 126.2(19) . . ?
F5 C24 C23 76.1(13) . . ?
F7A C24A F5A 111.6(17) . . ?
F7A C24A F6A 94.1(17) . . ?
F5A C24A F6A 119(2) . . ?
F7A C24A C23 94.8(15) . . ?
F5A C24A C23 125.4(18) . . ?
F6A C24A C23 105.2(18) . . ?
C27 C25 C26 111.2(12) . . ?
C27 C25 C5 103.7(15) . . ?
C26 C25 C5 110.6(12) . . ?
C27 C25 C28 109.2(12) . . ?
C26 C25 C28 107.2(12) . . ?
C5 C25 C28 115.1(16) . . ?
C5 C25 C26A 98.5(15) . . ?
C5 C25 C28A 104.5(13) . . ?
C26A C25 C28A 106.4(18) . . ?
C30 C29 F8 114.2(18) . . ?
C30 C29 F9 103.6(17) . . ?
F8 C29 F9 105.5(14) . . ?
C30 C29 C7 110.3(16) . . ?
F8 C29 C7 111.9(16) . . ?
F9 C29 C7 111.0(15) . . ?
F11 C30 F10 106(2) . . ?
F11 C30 C29 115.3(19) . . ?
F10 C30 C29 115.1(18) . . ?
F11 C30 C31 101.4(16) . . ?
F10 C30 C31 100.0(15) . . ?
C29 C30 C31 117.3(18) . . ?
F13 C31 F12 102.3(13) . . ?
F13 C31 F14 104.0(14) . . ?
F12 C31 F14 101.2(13) . . ?
F13 C31 C30 121.6(16) . . ?
F12 C31 C30 111.7(15) . . ?
F14 C31 C30 113.6(16) . . ?
F15 C32 F16 102.3(12) . . ?
F15 C32 C33 109.1(13) . . ?
F16 C32 C33 108.0(12) . . ?
F15 C32 C10 119.9(13) . . ?
F16 C32 C10 110.7(12) . . ?
C33 C32 C10 106.4(12) . . ?
F18 C33 F17 110.1(16) . . ?
F18 C33 C32 105.5(13) . . ?
F17 C33 C32 110.5(14) . . ?
F18 C33 C34 109.7(15) . . ?
F17 C33 C34 108.6(13) . . ?
C32 C33 C34 112.5(13) . . ?
F21 C34 F19 107.7(18) . . ?
F21 C34 F20 100.2(16) . . ?
F19 C34 F20 110.2(16) . . ?
F21 C34 C33 110.5(15) . . ?
F19 C34 C33 116.4(14) . . ?
F20 C34 C33 110.5(16) . . ?
F15A C32A F16A 113(2) . . ?
F15A C32A C33A 96.1(17) . . ?
F16A C32A C33A 99(2) . . ?
F15A C32A C10 119.2(18) . . ?
F16A C32A C10 118(2) . . ?
C33A C32A C10 107.0(16) . . ?
F18A C33A F17A 109.9(11) . . ?
F18A C33A C34A 98(2) . . ?
F17A C33A C34A 93.8(7) . . ?
F18A C33A C32A 118.8(19) . . ?
F17A C33A C32A 109.7(18) . . ?
C34A C33A C32A 123.5(17) . . ?
F21A C34A F19A 94.9(14) . . ?
F21A C34A F20A 96.3(15) . . ?
F19A C34A F20A 95.4(14) . . ?
F21A C34A C33A 129.4(18) . . ?
F19A C34A C33A 110.2(19) . . ?
F20A C34A C33A 122.8(19) . . ?

_refine_diff_density_max         1.982
_refine_diff_density_min         -1.541
_refine_diff_density_rms         0.212

_shelxl_version_number           2013-2

