# Electronic Supplementary Material (ESI) for ChemComm.
# 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. 
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data_Dy-Cu
_database_code_depnum_ccdc_archive 'CCDC 1879743'
loop_
_audit_author_name
_audit_author_address
'Jing Xie'
;Nankai University
China
;
_audit_update_record             
;
2018-11-19 deposited with the CCDC.	2019-02-25 downloaded from the CCDC.
;
_audit_creation_date             2018-10-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H38 Cu2 Dy F42 N5 O18'
_chemical_formula_sum            'C60 H38 Cu2 Dy F42 N5 O18'
_chemical_formula_weight         2204.53
_chemical_melting_point          ?
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'
Cu Cu 0.3201 1.2651 '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'
F F 0.0171 0.0103 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   20.944(4)
_cell_length_b                   20.520(4)
_cell_length_c                   19.008(4)
_cell_angle_alpha                90
_cell_angle_beta                 95.45(3)
_cell_angle_gamma                90
_cell_volume                     8132(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    15943
_cell_measurement_temperature    113
_cell_measurement_theta_max      27.8784
_cell_measurement_theta_min      1.3924
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.590
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8434
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   greenish
_exptl_crystal_density_diffrn    1.801
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4316
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0749
_diffrn_reflns_av_unetI/netI     0.0578
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            64162
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         1.816
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11334
_reflns_number_total             14313
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.899
_refine_diff_density_min         -1.578
_refine_diff_density_rms         0.129
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1164
_refine_ls_number_reflns         14313
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0997
_refine_ls_R_factor_gt           0.0806
_refine_ls_restrained_S_all      1.141
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1115P)²+31.1399P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2053
_refine_ls_wR_factor_ref         0.2218
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 H15A-H16C
 2.35 with sigma of 0.01
 H15C-H17A
 2.35 with sigma of 0.01
3. Rigid bond restraints
 C36, C37
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
 F14, C36
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
 F13, C36
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
 F15, C36
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C21 \\sim N4 \\sim C20 \\sim C22 \\sim C23: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C22) \\sim Ueq, Uanis(C16) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(C22) \\sim Ueq, Uanis(C23) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(C36) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C15) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(F7) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(F14) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
5.a Aromatic/amide H refined with riding coordinates:
 C11(H11), C9(H9), C4(H4), C1(H1), C53(H53), C43(H43), C7(H7), C5(H5), C2(H2),
 C33(H33), C58(H58), C38(H38), C48(H48), C28(H28)
5.b Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C17(H17A,H17B,H17C), C16(H16A,H16B,H16C), C24(H24A,H24B,
 H24C), C22(H22A,H22B,H22C), C15(H15A,H15B,H15C), C23(H23A,H23B,H23C), C25(H25A,
 H25B,H25C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.74873(2) 0.17314(2) 0.04551(2) 0.04462(15) Uani 1 1 d . . . . .
Cu2 Cu 1.0000 0.5000 0.0000 0.0461(3) Uani 1 2 d S T P . .
Cu3 Cu 0.5000 0.5000 0.0000 0.0509(4) Uani 1 2 d S T P . .
Cu1 Cu 0.74396(5) 0.67785(5) 0.27025(6) 0.0537(3) Uani 1 1 d . . . . .
F17 F 0.7858(2) 0.5144(3) -0.0844(3) 0.0727(16) Uani 1 1 d . . . . .
F35 F 0.5454(3) 0.0508(3) 0.0200(5) 0.113(3) Uani 1 1 d . . . . .
F16 F 0.8214(3) 0.6111(3) -0.0960(5) 0.106(3) Uani 1 1 d . . . . .
F31 F 0.7109(5) 0.1667(3) 0.3011(3) 0.108(3) Uani 1 1 d . . . . .
F32 F 0.7818(4) 0.0944(4) 0.2954(4) 0.110(3) Uani 1 1 d . . . . .
F36 F 0.6149(3) -0.0230(3) 0.0180(4) 0.099(2) Uani 1 1 d . . . . .
F27 F 0.6018(3) 0.3546(3) 0.1133(4) 0.090(2) Uani 1 1 d . . . . .
F25 F 0.5854(4) 0.2723(3) 0.1778(3) 0.098(2) Uani 1 1 d . . . . .
F23 F 0.6765(3) 0.6415(4) -0.1024(3) 0.099(2) Uani 1 1 d . . . . .
F18 F 0.8050(3) 0.5494(3) -0.1858(3) 0.0847(19) Uani 1 1 d . . . . .
F2 F 0.7977(4) 0.7807(4) 0.4887(4) 0.108(2) Uani 1 1 d . . . . .
F1 F 0.8345(6) 0.6861(5) 0.5025(6) 0.158(5) Uani 1 1 d . . . . .
F26 F 0.6362(4) 0.3565(4) 0.2219(4) 0.130(3) Uani 1 1 d . . . . .
F41 F 0.7640(7) -0.0328(4) -0.1515(4) 0.186(6) Uani 1 1 d . . . . .
F22 F 0.6384(4) 0.6768(4) -0.0140(7) 0.170(5) Uani 1 1 d . . . . .
F24 F 0.6977(3) 0.5940(4) -0.0056(4) 0.115(3) Uani 1 1 d . . . . .
F10 F 0.9390(3) 0.7539(4) 0.2404(7) 0.149(4) Uani 1 1 d . . . . .
F30 F 0.9001(5) 0.2435(5) 0.2394(5) 0.152(4) Uani 1 1 d . . . . .
F11 F 0.9118(4) 0.8522(4) 0.2463(7) 0.156(4) Uani 1 1 d . . . . .
F34 F 0.5629(3) -0.0159(3) 0.1067(4) 0.099(2) Uani 1 1 d . . . . .
F33 F 0.6862(4) 0.0653(4) 0.3097(3) 0.108(2) Uani 1 1 d . . . . .
F38 F 0.9357(5) 0.0181(5) 0.0988(6) 0.155(4) Uani 1 1 d . . . . .
F28 F 0.8553(6) 0.3305(6) 0.2728(7) 0.202(7) Uani 1 1 d . . . . .
F9 F 0.6293(5) 0.8408(5) 0.1307(7) 0.180(6) Uani 1 1 d . . . . .
F8 F 0.6987(5) 0.9087(4) 0.1431(6) 0.147(4) Uani 1 1 d . . . . .
F3 F 0.7473(6) 0.7148(9) 0.5454(5) 0.224(8) Uani 1 1 d . . . . .
F4 F 0.5599(4) 0.6394(5) 0.4325(4) 0.116(3) Uani 1 1 d . . . . .
F6 F 0.5722(4) 0.5669(5) 0.3619(5) 0.144(4) Uani 1 1 d . . . . .
F37 F 0.8567(6) -0.0157(4) 0.1556(6) 0.159(5) Uani 1 1 d . . . . .
F39 F 0.8837(8) -0.0666(4) 0.0666(6) 0.245(9) Uani 1 1 d . . . . .
F7 F 0.6472(5) 0.8923(5) 0.2247(5) 0.168(4) Uani 1 1 d . U . . .
F42 F 0.7760(8) 0.0575(6) -0.1897(4) 0.211(7) Uani 1 1 d . . . . .
F40 F 0.6941(6) 0.0314(8) -0.1607(7) 0.219(8) Uani 1 1 d . . . . .
F12 F 0.9095(4) 0.8074(6) 0.1546(5) 0.158(4) Uani 1 1 d . . . . .
F29 F 0.9055(5) 0.3299(5) 0.1818(7) 0.157(5) Uani 1 1 d . . . . .
O2 O 0.8318(2) 0.2137(3) -0.0185(3) 0.0483(13) Uani 1 1 d . . . . .
O3 O 0.6824(2) 0.2210(3) -0.0497(3) 0.0417(12) Uani 1 1 d . . . . .
O9 O 0.9157(3) 0.5279(3) -0.0384(3) 0.0526(14) Uani 1 1 d . . . . .
O11 O 0.5270(2) 0.4877(3) 0.0995(3) 0.0548(16) Uani 1 1 d . . . . .
O12 O 0.5739(3) 0.5551(3) -0.0031(3) 0.0548(15) Uani 1 1 d . . . . .
O13 O 0.6829(3) 0.2519(3) 0.0916(3) 0.0544(15) Uani 1 1 d . . . . .
O18 O 0.7517(2) 0.1085(3) -0.0577(3) 0.0444(12) Uani 1 1 d . . . . .
O10 O 1.0241(3) 0.4747(3) -0.0921(4) 0.0633(17) Uani 1 1 d . . . . .
O15 O 0.6653(3) 0.1006(3) 0.0471(3) 0.0564(15) Uani 1 1 d . . . . .
O7 O 0.6911(3) 0.7582(3) 0.2240(4) 0.0659(17) Uani 1 1 d . . . . .
O6 O 0.6640(3) 0.6474(3) 0.3018(3) 0.0619(16) Uani 1 1 d . . . . .
O8 O 0.8227(3) 0.7169(3) 0.2437(4) 0.0596(16) Uani 1 1 d . . . . .
O14 O 0.8161(3) 0.2409(3) 0.1211(3) 0.0648(17) Uani 1 1 d . . . . .
O4 O 0.5733(3) 0.4166(3) -0.0572(3) 0.0597(16) Uani 1 1 d . . . . .
O5 O 0.7756(3) 0.7033(3) 0.3687(4) 0.0666(17) Uani 1 1 d . . . . .
O16 O 0.7394(3) 0.1436(3) 0.1649(3) 0.0628(17) Uani 1 1 d . . . . .
O17 O 0.8192(3) 0.0886(3) 0.0732(3) 0.0630(17) Uani 1 1 d . . . . .
O1 O 0.9518(3) 0.3999(3) 0.0310(4) 0.072(2) Uani 1 1 d . . . . .
N4 N 0.6376(3) 0.2643(3) -0.0591(3) 0.0430(15) Uani 1 1 d . U . . .
N1 N 0.7458(3) 0.6063(3) 0.1961(4) 0.0473(16) Uani 1 1 d . . . . .
N3 N 0.8798(3) 0.2539(3) -0.0067(4) 0.0506(17) Uani 1 1 d . . . . .
N5 N 0.5857(3) 0.3565(4) -0.0636(4) 0.0491(16) Uani 1 1 d . . . . .
N2 N 0.9371(3) 0.3422(3) 0.0135(5) 0.064(2) Uani 1 1 d . . . . .
C11 C 0.7005(3) 0.4171(4) 0.0234(4) 0.0412(17) Uani 1 1 d . . . . .
H11 H 0.6616 0.4377 0.0282 0.049 Uiso 1 1 calc R . . . .
F20 F 0.5748(3) 0.4880(3) 0.2306(3) 0.0801(18) Uani 1 1 d . . . . .
C3 C 0.7533(3) 0.4997(4) 0.1051(4) 0.0411(17) Uani 1 1 d . . . . .
C10 C 0.7025(3) 0.3609(4) -0.0187(4) 0.0383(16) Uani 1 1 d . . . . .
C9 C 0.7616(3) 0.3322(4) -0.0286(4) 0.0396(17) Uani 1 1 d . . . . .
H9 H 0.7639 0.2976 -0.0599 0.047 Uiso 1 1 calc R . . . .
C34 C 0.8288(4) 0.7761(4) 0.2264(4) 0.0464(19) Uani 1 1 d . . . . .
C19 C 0.6442(3) 0.3286(4) -0.0479(4) 0.0393(17) Uani 1 1 d . . . . .
C4 C 0.6993(4) 0.5122(4) 0.1403(4) 0.0464(19) Uani 1 1 d . . . . .
H4 H 0.6641 0.4845 0.1335 0.056 Uiso 1 1 calc R . . . .
C39 C 0.8949(4) 0.5260(4) -0.1027(6) 0.057(2) Uani 1 1 d . . . . .
C52 C 0.6409(4) 0.0654(4) 0.0922(5) 0.052(2) Uani 1 1 d . . . . .
C8 C 0.8170(3) 0.3562(4) 0.0090(4) 0.0427(18) Uani 1 1 d . . . . .
C1 C 0.7979(4) 0.5960(4) 0.1612(6) 0.058(2) Uani 1 1 d . . . . .
H1 H 0.8319 0.6251 0.1681 0.070 Uiso 1 1 calc R . . . .
C53 C 0.6568(4) 0.0655(4) 0.1640(5) 0.056(2) Uani 1 1 d . . . . .
H53 H 0.6348 0.0382 0.1924 0.067 Uiso 1 1 calc R . . . .
C6 C 0.7570(3) 0.4418(4) 0.0579(4) 0.0407(17) Uani 1 1 d . . . . .
C43 C 0.4353(4) 0.4252(5) 0.1263(5) 0.057(2) Uani 1 1 d . . . . .
H43 H 0.4157 0.4051 0.1625 0.068 Uiso 1 1 calc R . . . .
C54 C 0.7053(5) 0.1059(4) 0.1953(4) 0.052(2) Uani 1 1 d . . . . .
C7 C 0.8154(4) 0.4110(4) 0.0517(4) 0.0445(18) Uani 1 1 d . . . . .
H7 H 0.8529 0.4270 0.0757 0.053 Uiso 1 1 calc R . . . .
C5 C 0.6970(4) 0.5646(4) 0.1848(4) 0.0477(19) Uani 1 1 d . . . . .
H5 H 0.6603 0.5713 0.2078 0.057 Uiso 1 1 calc R . . . .
C44 C 0.4926(4) 0.4606(4) 0.1425(5) 0.055(2) Uani 1 1 d . . . . .
C42 C 0.5919(4) 0.5798(4) -0.0585(5) 0.050(2) Uani 1 1 d . . . . .
C2 C 0.8030(4) 0.5447(4) 0.1160(5) 0.055(2) Uani 1 1 d . . . . .
H2 H 0.8397 0.5399 0.0925 0.067 Uiso 1 1 calc R . . . .
C21 C 0.5700(4) 0.2456(5) -0.0838(5) 0.062(2) Uani 1 1 d . U . . .
F19 F 0.4790(3) 0.5142(5) 0.2478(4) 0.118(3) Uani 1 1 d . . . . .
C12 C 0.8767(4) 0.3181(4) 0.0049(5) 0.051(2) Uani 1 1 d . . . . .
C27 C 0.7445(6) 0.6973(5) 0.4207(6) 0.075(3) Uani 1 1 d . . . . .
F21 F 0.5087(3) 0.4161(4) 0.2576(4) 0.124(3) Uani 1 1 d . . . . .
C59 C 0.7725(5) 0.0534(4) -0.0688(5) 0.054(2) Uani 1 1 d . . . . .
C37 C 0.9878(6) 0.4799(7) -0.1484(6) 0.092(4) Uani 1 1 d . U . . .
C40 C 0.8266(4) 0.5515(5) -0.1177(6) 0.059(2) Uani 1 1 d . . . . .
C55 C 0.7205(6) 0.1075(6) 0.2768(5) 0.074(3) Uani 1 1 d . . . . .
C14 C 0.9479(4) 0.2293(5) -0.0054(8) 0.082(4) Uani 1 1 d . . . . .
C33 C 0.7828(4) 0.8216(4) 0.2096(5) 0.056(2) Uani 1 1 d . . . . .
H33 H 0.7957 0.8636 0.1995 0.067 Uiso 1 1 calc R . . . .
C45 C 0.5153(5) 0.4691(6) 0.2197(5) 0.073(3) Uani 1 1 d . . . . .
C58 C 0.8088(7) 0.0131(5) -0.0216(6) 0.092(4) Uani 1 1 d . . . . .
H58 H 0.8186 -0.0291 -0.0348 0.110 Uiso 1 1 calc R . . . .
C51 C 0.5901(5) 0.0198(5) 0.0604(6) 0.066(3) Uani 1 1 d . . . . .
C46 C 0.6295(7) 0.3176(5) 0.1664(6) 0.086(4) Uani 1 1 d . . . . .
C47 C 0.6901(5) 0.2876(4) 0.1467(5) 0.061(3) Uani 1 1 d . . . . .
C29 C 0.6471(5) 0.6523(5) 0.3630(5) 0.059(2) Uani 1 1 d . . . . .
C56 C 0.8770(10) -0.0092(6) 0.0923(10) 0.119(6) Uani 1 1 d . . . . .
C60 C 0.7531(6) 0.0265(5) -0.1422(6) 0.072(3) Uani 1 1 d . . . . .
C49 C 0.8056(6) 0.2759(5) 0.1709(6) 0.078(3) Uani 1 1 d . . . . .
C41 C 0.6527(4) 0.6231(5) -0.0442(6) 0.063(3) Uani 1 1 d . . . . .
C35 C 0.8976(5) 0.7956(5) 0.2233(6) 0.068(3) Uani 1 1 d . . . . .
C38 C 0.9258(5) 0.5038(7) -0.1581(6) 0.089(4) Uani 1 1 d . . . . .
H38 H 0.9047 0.5048 -0.2034 0.107 Uiso 1 1 calc R . . . .
C31 C 0.6715(5) 0.8617(6) 0.1770(7) 0.079(3) Uani 1 1 d . . . . .
C32 C 0.7175(5) 0.8087(5) 0.2068(5) 0.058(2) Uani 1 1 d . . . . .
C57 C 0.8302(6) 0.0360(5) 0.0449(6) 0.075(3) Uani 1 1 d . . . . .
C18 C 0.9551(6) 0.1849(8) -0.0653(12) 0.160(9) Uani 1 1 d . . . . .
H18A H 0.9208 0.1537 -0.0688 0.240 Uiso 1 1 calc GR . . . .
H18B H 0.9955 0.1625 -0.0578 0.240 Uiso 1 1 calc GR . . . .
H18C H 0.9538 0.2096 -0.1083 0.240 Uiso 1 1 calc GR . . . .
C17 C 0.9582(6) 0.1903(8) 0.0659(11) 0.140(8) Uani 1 1 d . . . . .
H17A H 0.9461 0.2170 0.1039 0.210 Uiso 1 1 calc DGR . . . .
H17B H 1.0026 0.1785 0.0748 0.210 Uiso 1 1 calc GR . . . .
H17C H 0.9323 0.1516 0.0625 0.210 Uiso 1 1 calc GR . . . .
C48 C 0.7472(7) 0.2998(5) 0.1885(5) 0.075(3) Uani 1 1 d . . . . .
H48 H 0.7462 0.3246 0.2293 0.090 Uiso 1 1 calc R . . . .
C26 C 0.7807(7) 0.7191(8) 0.4918(7) 0.102(5) Uani 1 1 d . . . . .
C28 C 0.6822(6) 0.6746(5) 0.4227(5) 0.069(3) Uani 1 1 d . . . . .
H28 H 0.6639 0.6746 0.4654 0.083 Uiso 1 1 calc R . . . .
C13 C 0.9867(4) 0.2911(5) 0.0036(9) 0.096(5) Uani 1 1 d . . . . .
C50 C 0.8676(9) 0.2953(8) 0.2192(9) 0.116(6) Uani 1 1 d . . . . .
C16 C 1.0213(10) 0.3110(9) -0.0500(11) 0.158(7) Uani 1 1 d . U . . .
H16A H 0.9956 0.3065 -0.0943 0.237 Uiso 1 1 calc GR . . . .
H16B H 1.0591 0.2846 -0.0504 0.237 Uiso 1 1 calc GR . . . .
H16C H 1.0334 0.3558 -0.0429 0.237 Uiso 1 1 calc DGR . . . .
C30 C 0.5786(6) 0.6318(7) 0.3696(7) 0.088(4) Uani 1 1 d . . . . .
F5 F 0.5398(4) 0.6561(9) 0.3240(6) 0.235(9) Uani 1 1 d . . . . .
C24 C 0.4752(5) 0.3263(7) -0.1034(10) 0.116(6) Uani 1 1 d . . . . .
H24A H 0.4567 0.3221 -0.0594 0.174 Uiso 1 1 calc GR . . . .
H24B H 0.4521 0.2994 -0.1385 0.174 Uiso 1 1 calc GR . . . .
H24C H 0.4728 0.3710 -0.1185 0.174 Uiso 1 1 calc GR . . . .
C20 C 0.5374(5) 0.3074(6) -0.0950(8) 0.094(3) Uani 1 1 d . U . . .
C22 C 0.5420(7) 0.2240(8) -0.0125(9) 0.121(5) Uani 1 1 d . U . . .
H22A H 0.5767 0.2146 0.0227 0.182 Uiso 1 1 calc GR . . . .
H22B H 0.5159 0.1858 -0.0210 0.182 Uiso 1 1 calc GR . . . .
H22C H 0.5163 0.2587 0.0039 0.182 Uiso 1 1 calc GR . . . .
C15 C 1.0400(8) 0.2954(9) 0.0642(11) 0.147(6) Uani 1 1 d . U . . .
H15A H 1.0447 0.3399 0.0798 0.220 Uiso 1 1 calc DGR . . . .
H15B H 1.0796 0.2806 0.0482 0.220 Uiso 1 1 calc GR . . . .
H15C H 1.0293 0.2686 0.1028 0.220 Uiso 1 1 calc DGR . . . .
C23 C 0.5652(8) 0.1950(8) -0.1351(9) 0.129(5) Uani 1 1 d . U . . .
H23A H 0.5815 0.2101 -0.1777 0.193 Uiso 1 1 calc GR . . . .
H23B H 0.5211 0.1826 -0.1451 0.193 Uiso 1 1 calc GR . . . .
H23C H 0.5897 0.1580 -0.1172 0.193 Uiso 1 1 calc GR . . . .
F13 F 1.0717(8) 0.5037(8) -0.2195(8) 0.235(8) Uani 1 1 d . U . . .
F15 F 1.0483(4) 0.4012(7) -0.2039(5) 0.171(5) Uani 1 1 d . U . . .
C36 C 1.0250(12) 0.4575(13) -0.2129(12) 0.156(6) Uani 1 1 d . U . . .
F14 F 0.9821(7) 0.4526(9) -0.2671(6) 0.233(5) Uani 1 1 d . U . . .
C25 C 0.5495(7) 0.3237(7) -0.1867(7) 0.117(4) Uani 1 1 d . . . . .
H25A H 0.5373 0.3678 -0.1981 0.175 Uiso 1 1 calc GR . . . .
H25B H 0.5237 0.2944 -0.2167 0.175 Uiso 1 1 calc GR . . . .
H25C H 0.5939 0.3175 -0.1936 0.175 Uiso 1 1 calc GR . . . .


_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 O2 2.367(5) . ?
Dy1 O3 2.385(5) . ?
Dy1 O13 2.347(6) . ?
Dy1 O18 2.374(5) . ?
Dy1 O15 2.298(5) . ?
Dy1 O14 2.368(6) . ?
Dy1 O16 2.374(5) . ?
Dy1 O17 2.306(6) . ?
Cu2 O9 1.932(6) 3_765 ?
Cu2 O9 1.932(6) . ?
Cu2 O10 1.938(6) 3_765 ?
Cu2 O10 1.938(6) . ?
Cu2 O1 2.388(6) 3_765 ?
Cu2 O1 2.388(6) . ?
Cu3 O11 1.939(6) . ?
Cu3 O11 1.939(6) 3_665 ?
Cu3 O12 1.922(6) . ?
Cu3 O12 1.922(6) 3_665 ?
Cu3 O4 2.604(6) . ?
Cu1 O7 2.129(6) . ?
Cu1 O6 1.935(6) . ?
Cu1 O8 1.943(6) . ?
Cu1 O5 1.995(7) . ?
Cu1 N1 2.038(7) . ?
F17 C40 1.347(10) . ?
F35 C51 1.316(12) . ?
F16 C40 1.299(11) . ?
F31 C55 1.321(12) . ?
F32 C55 1.327(13) . ?
F36 C51 1.331(12) . ?
F27 C46 1.350(15) . ?
F25 C46 1.343(12) . ?
F23 C41 1.312(11) . ?
F18 C40 1.329(12) . ?
F2 C26 1.315(14) . ?
F1 C26 1.314(18) . ?
F26 C46 1.321(12) . ?
F41 C60 1.254(12) . ?
F22 C41 1.291(12) . ?
F24 C41 1.285(11) . ?
F10 C35 1.238(12) . ?
F30 C50 1.300(17) . ?
F11 C35 1.266(12) . ?
F34 C51 1.315(11) . ?
F33 C55 1.322(12) . ?
F38 C56 1.34(2) . ?
F28 C50 1.295(19) . ?
F9 C31 1.262(16) . ?
F8 C31 1.320(13) . ?
F3 C26 1.293(17) . ?
F4 C30 1.303(13) . ?
F6 C30 1.345(16) . ?
F37 C56 1.32(2) . ?
F39 C56 1.287(15) . ?
F7 C31 1.251(14) . ?
F42 C60 1.238(14) . ?
F40 C60 1.257(15) . ?
F12 C35 1.374(14) . ?
F29 C50 1.32(2) . ?
O2 N3 1.304(8) . ?
O3 N4 1.293(8) . ?
O9 C39 1.258(11) . ?
O11 C44 1.269(9) . ?
O12 C42 1.258(9) . ?
O13 C47 1.276(10) . ?
O18 C59 1.237(10) . ?
O10 C37 1.257(13) . ?
O15 C52 1.265(9) . ?
O7 C32 1.233(11) . ?
O6 C29 1.252(11) . ?
O8 C34 1.270(10) . ?
O14 C49 1.225(13) . ?
O4 N5 1.268(9) . ?
O5 C27 1.242(13) . ?
O16 C54 1.233(10) . ?
O17 C57 1.239(11) . ?
O1 N2 1.259(9) . ?
N4 C19 1.341(10) . ?
N4 C21 1.498(10) . ?
N1 C1 1.345(10) . ?
N1 C5 1.334(10) . ?
N3 C12 1.337(10) . ?
N3 C14 1.510(10) . ?
N5 C19 1.361(10) . ?
N5 C20 1.510(13) . ?
N2 C12 1.354(10) . ?
N2 C13 1.501(11) . ?
C11 H11 0.9300 . ?
C11 C10 1.405(11) . ?
C11 C6 1.394(11) . ?
F20 C45 1.303(11) . ?
C3 C4 1.391(11) . ?
C3 C6 1.496(11) . ?
C3 C2 1.392(11) . ?
C10 C9 1.401(10) . ?
C10 C19 1.453(10) . ?
C9 H9 0.9300 . ?
C9 C8 1.393(11) . ?
C34 C33 1.356(12) . ?
C34 C35 1.502(13) . ?
C4 H4 0.9300 . ?
C4 C5 1.372(11) . ?
C39 C40 1.525(12) . ?
C39 C38 1.366(14) . ?
C52 C53 1.374(13) . ?
C52 C51 1.500(13) . ?
C8 C7 1.389(11) . ?
C8 C12 1.483(11) . ?
C1 H1 0.9300 . ?
C1 C2 1.370(12) . ?
C53 H53 0.9300 . ?
C53 C54 1.401(13) . ?
C6 C7 1.391(10) . ?
C43 H43 0.9300 . ?
C43 C44 1.411(13) . ?
C43 C42 1.362(13) 3_665 ?
C54 C55 1.551(13) . ?
C7 H7 0.9300 . ?
C5 H5 0.9300 . ?
C44 C45 1.509(14) . ?
C42 C43 1.362(13) 3_665 ?
C42 C41 1.557(13) . ?
C2 H2 0.9300 . ?
C21 C20 1.446(16) . ?
C21 C22 1.592(17) . ?
C21 C23 1.422(16) . ?
F19 C45 1.341(14) . ?
C27 C26 1.552(17) . ?
C27 C28 1.388(15) . ?
F21 C45 1.319(11) . ?
C59 C58 1.391(13) . ?
C59 C60 1.520(13) . ?
C37 C38 1.385(15) . ?
C37 C36 1.58(2) . ?
C14 C18 1.478(19) . ?
C14 C17 1.57(2) . ?
C14 C13 1.506(13) . ?
C33 H33 0.9300 . ?
C33 C32 1.389(13) . ?
C58 H58 0.9300 . ?
C58 C57 1.384(14) . ?
C46 C47 1.490(16) . ?
C47 C48 1.394(15) . ?
C29 C28 1.372(14) . ?
C29 C30 1.512(15) . ?
C56 C57 1.570(17) . ?
C49 C48 1.386(17) . ?
C49 C50 1.569(18) . ?
C38 H38 0.9300 . ?
C31 C32 1.526(13) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C17 H17A 0.9673 . ?
C17 H17B 0.9675 . ?
C17 H17C 0.9675 . ?
C48 H48 0.9300 . ?
C28 H28 0.9300 . ?
C13 C16 1.37(2) . ?
C13 C15 1.53(2) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C30 F5 1.235(16) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C24 C20 1.354(15) . ?
C20 C25 1.82(2) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
F13 C36 1.38(3) . ?
F15 C36 1.26(2) . ?
C36 F14 1.30(2) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?

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
O2 Dy1 O3 82.47(18) . . ?
O2 Dy1 O18 72.12(19) . . ?
O2 Dy1 O14 71.4(2) . . ?
O2 Dy1 O16 135.4(2) . . ?
O13 Dy1 O2 115.92(19) . . ?
O13 Dy1 O3 71.31(18) . . ?
O13 Dy1 O18 139.06(19) . . ?
O13 Dy1 O14 72.9(2) . . ?
O13 Dy1 O16 73.4(2) . . ?
O18 Dy1 O3 70.24(18) . . ?
O15 Dy1 O2 146.3(2) . . ?
O15 Dy1 O3 83.6(2) . . ?
O15 Dy1 O13 88.1(2) . . ?
O15 Dy1 O18 74.26(19) . . ?
O15 Dy1 O14 141.5(2) . . ?
O15 Dy1 O16 71.9(2) . . ?
O15 Dy1 O17 88.9(2) . . ?
O14 Dy1 O3 119.3(2) . . ?
O14 Dy1 O18 140.3(2) . . ?
O14 Dy1 O16 70.6(2) . . ?
O16 Dy1 O3 137.3(2) . . ?
O16 Dy1 O18 131.15(19) . . ?
O17 Dy1 O2 84.0(2) . . ?
O17 Dy1 O3 142.8(2) . . ?
O17 Dy1 O13 144.9(2) . . ?
O17 Dy1 O18 72.7(2) . . ?
O17 Dy1 O14 88.4(2) . . ?
O17 Dy1 O16 72.4(2) . . ?
O9 Cu2 O9 180.0 . 3_765 ?
O9 Cu2 O10 92.6(3) 3_765 3_765 ?
O9 Cu2 O10 87.4(3) 3_765 . ?
O9 Cu2 O10 92.6(3) . . ?
O9 Cu2 O10 87.4(3) . 3_765 ?
O9 Cu2 O1 92.6(2) . 3_765 ?
O9 Cu2 O1 87.4(2) . . ?
O9 Cu2 O1 87.4(2) 3_765 3_765 ?
O9 Cu2 O1 92.6(2) 3_765 . ?
O10 Cu2 O10 180.0 3_765 . ?
O10 Cu2 O1 98.3(3) 3_765 3_765 ?
O10 Cu2 O1 98.3(3) . . ?
O10 Cu2 O1 81.7(3) 3_765 . ?
O10 Cu2 O1 81.7(3) . 3_765 ?
O1 Cu2 O1 180.0 3_765 . ?
O11 Cu3 O11 180.0 . 3_665 ?
O11 Cu3 O4 101.1(2) . . ?
O11 Cu3 O4 78.9(2) 3_665 . ?
O12 Cu3 O11 86.9(2) 3_665 3_665 ?
O12 Cu3 O11 93.1(2) 3_665 . ?
O12 Cu3 O11 93.1(2) . 3_665 ?
O12 Cu3 O11 86.9(2) . . ?
O12 Cu3 O12 180.0 . 3_665 ?
O12 Cu3 O4 82.2(2) . . ?
O12 Cu3 O4 97.8(2) 3_665 . ?
O6 Cu1 O7 86.9(3) . . ?
O6 Cu1 O8 174.0(3) . . ?
O6 Cu1 O5 90.8(3) . . ?
O6 Cu1 N1 93.1(3) . . ?
O8 Cu1 O7 89.7(3) . . ?
O8 Cu1 O5 85.4(3) . . ?
O8 Cu1 N1 92.6(3) . . ?
O5 Cu1 O7 107.3(3) . . ?
O5 Cu1 N1 144.2(3) . . ?
N1 Cu1 O7 108.4(3) . . ?
N3 O2 Dy1 136.6(5) . . ?
N4 O3 Dy1 138.7(4) . . ?
C39 O9 Cu2 125.3(6) . . ?
C44 O11 Cu3 123.6(6) . . ?
C42 O12 Cu3 124.7(6) . . ?
C47 O13 Dy1 132.4(7) . . ?
C59 O18 Dy1 133.5(5) . . ?
C37 O10 Cu2 123.9(6) . . ?
C52 O15 Dy1 137.4(6) . . ?
C32 O7 Cu1 122.1(6) . . ?
C29 O6 Cu1 126.2(6) . . ?
C34 O8 Cu1 124.7(5) . . ?
C49 O14 Dy1 132.3(8) . . ?
N5 O4 Cu3 144.4(5) . . ?
C27 O5 Cu1 124.6(7) . . ?
C54 O16 Dy1 135.5(6) . . ?
C57 O17 Dy1 134.3(6) . . ?
N2 O1 Cu2 147.3(7) . . ?
O3 N4 C19 126.2(6) . . ?
O3 N4 C21 121.3(7) . . ?
C19 N4 C21 112.5(7) . . ?
C1 N1 Cu1 121.5(6) . . ?
C5 N1 Cu1 120.6(5) . . ?
C5 N1 C1 117.7(7) . . ?
O2 N3 C12 127.2(6) . . ?
O2 N3 C14 120.1(6) . . ?
C12 N3 C14 112.7(6) . . ?
O4 N5 C19 125.2(7) . . ?
O4 N5 C20 123.6(7) . . ?
C19 N5 C20 111.1(7) . . ?
O1 N2 C12 125.3(7) . . ?
O1 N2 C13 122.4(7) . . ?
C12 N2 C13 112.3(7) . . ?
C10 C11 H11 120.1 . . ?
C6 C11 H11 120.1 . . ?
C6 C11 C10 119.8(7) . . ?
C4 C3 C6 121.7(7) . . ?
C4 C3 C2 116.0(7) . . ?
C2 C3 C6 122.3(7) . . ?
C11 C10 C19 121.5(7) . . ?
C9 C10 C11 119.7(7) . . ?
C9 C10 C19 118.6(7) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 C10 119.1(7) . . ?
C8 C9 H9 120.5 . . ?
O8 C34 C33 129.3(8) . . ?
O8 C34 C35 112.6(8) . . ?
C33 C34 C35 118.1(8) . . ?
N4 C19 N5 107.6(7) . . ?
N4 C19 C10 125.5(7) . . ?
N5 C19 C10 126.7(7) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 C3 121.1(7) . . ?
C5 C4 H4 119.4 . . ?
O9 C39 C40 113.8(8) . . ?
O9 C39 C38 127.9(9) . . ?
C38 C39 C40 118.3(9) . . ?
O15 C52 C53 126.6(8) . . ?
O15 C52 C51 113.6(8) . . ?
C53 C52 C51 119.8(8) . . ?
C9 C8 C12 116.8(7) . . ?
C7 C8 C9 121.4(7) . . ?
C7 C8 C12 121.7(7) . . ?
N1 C1 H1 118.5 . . ?
N1 C1 C2 123.1(8) . . ?
C2 C1 H1 118.5 . . ?
C52 C53 H53 119.3 . . ?
C52 C53 C54 121.4(8) . . ?
C54 C53 H53 119.3 . . ?
C11 C6 C3 118.7(7) . . ?
C7 C6 C11 120.6(7) . . ?
C7 C6 C3 120.5(7) . . ?
C44 C43 H43 119.5 . . ?
C42 C43 H43 119.5 3_665 . ?
C42 C43 C44 121.0(7) 3_665 . ?
O16 C54 C53 126.9(8) . . ?
O16 C54 C55 112.5(9) . . ?
C53 C54 C55 120.6(8) . . ?
C8 C7 C6 119.1(7) . . ?
C8 C7 H7 120.4 . . ?
C6 C7 H7 120.4 . . ?
N1 C5 C4 122.1(7) . . ?
N1 C5 H5 119.0 . . ?
C4 C5 H5 119.0 . . ?
O11 C44 C43 127.5(9) . . ?
O11 C44 C45 115.4(8) . . ?
C43 C44 C45 117.0(7) . . ?
O12 C42 C43 129.1(8) . 3_665 ?
O12 C42 C41 112.8(8) . . ?
C43 C42 C41 118.1(7) 3_665 . ?
C3 C2 H2 120.0 . . ?
C1 C2 C3 120.0(7) . . ?
C1 C2 H2 120.0 . . ?
N4 C21 C22 102.6(9) . . ?
C20 C21 N4 104.0(8) . . ?
C20 C21 C22 99.3(10) . . ?
C23 C21 N4 113.9(9) . . ?
C23 C21 C20 122.6(12) . . ?
C23 C21 C22 111.9(12) . . ?
N3 C12 N2 108.7(7) . . ?
N3 C12 C8 125.6(7) . . ?
N2 C12 C8 125.7(7) . . ?
O5 C27 C26 114.4(11) . . ?
O5 C27 C28 128.4(11) . . ?
C28 C27 C26 117.1(11) . . ?
O18 C59 C58 127.9(9) . . ?
O18 C59 C60 114.8(8) . . ?
C58 C59 C60 117.3(9) . . ?
O10 C37 C38 128.9(10) . . ?
O10 C37 C36 109.4(11) . . ?
C38 C37 C36 121.6(13) . . ?
F17 C40 C39 110.1(7) . . ?
F16 C40 F17 107.8(8) . . ?
F16 C40 F18 108.0(8) . . ?
F16 C40 C39 111.6(8) . . ?
F18 C40 F17 105.5(7) . . ?
F18 C40 C39 113.4(8) . . ?
F31 C55 F32 105.6(11) . . ?
F31 C55 C54 110.2(8) . . ?
F32 C55 C54 111.4(8) . . ?
F33 C55 F31 109.2(9) . . ?
F33 C55 F32 107.2(9) . . ?
F33 C55 C54 112.9(10) . . ?
N3 C14 C17 103.8(9) . . ?
C18 C14 N3 111.1(10) . . ?
C18 C14 C17 109.5(13) . . ?
C18 C14 C13 120.8(12) . . ?
C13 C14 N3 102.7(7) . . ?
C13 C14 C17 107.6(12) . . ?
C34 C33 H33 118.3 . . ?
C34 C33 C32 123.5(8) . . ?
C32 C33 H33 118.2 . . ?
F20 C45 C44 113.4(7) . . ?
F20 C45 F19 107.6(11) . . ?
F20 C45 F21 107.9(8) . . ?
F19 C45 C44 109.2(8) . . ?
F21 C45 C44 113.3(10) . . ?
F21 C45 F19 104.9(9) . . ?
C59 C58 H58 120.1 . . ?
C57 C58 C59 119.8(10) . . ?
C57 C58 H58 120.1 . . ?
F35 C51 F36 105.2(10) . . ?
F35 C51 C52 111.9(8) . . ?
F36 C51 C52 110.6(8) . . ?
F34 C51 F35 109.3(8) . . ?
F34 C51 F36 104.8(8) . . ?
F34 C51 C52 114.4(9) . . ?
F27 C46 C47 111.1(8) . . ?
F25 C46 F27 105.0(11) . . ?
F25 C46 C47 111.8(9) . . ?
F26 C46 F27 105.2(10) . . ?
F26 C46 F25 108.2(8) . . ?
F26 C46 C47 115.0(12) . . ?
O13 C47 C46 113.9(10) . . ?
O13 C47 C48 126.8(10) . . ?
C48 C47 C46 119.3(10) . . ?
O6 C29 C28 128.3(9) . . ?
O6 C29 C30 114.2(9) . . ?
C28 C29 C30 117.5(10) . . ?
F38 C56 C57 108.8(12) . . ?
F37 C56 F38 109.2(13) . . ?
F37 C56 C57 110.2(15) . . ?
F39 C56 F38 106.5(18) . . ?
F39 C56 F37 108.1(15) . . ?
F39 C56 C57 114.0(12) . . ?
F41 C60 F40 103.0(12) . . ?
F41 C60 C59 116.4(9) . . ?
F42 C60 F41 107.9(13) . . ?
F42 C60 F40 101.3(13) . . ?
F42 C60 C59 113.3(10) . . ?
F40 C60 C59 113.4(11) . . ?
O14 C49 C48 128.4(10) . . ?
O14 C49 C50 113.6(13) . . ?
C48 C49 C50 118.0(12) . . ?
F23 C41 C42 112.7(9) . . ?
F22 C41 F23 104.5(9) . . ?
F22 C41 C42 110.2(8) . . ?
F24 C41 F23 107.4(8) . . ?
F24 C41 F22 109.4(12) . . ?
F24 C41 C42 112.3(8) . . ?
F10 C35 F11 114.0(11) . . ?
F10 C35 F12 100.6(10) . . ?
F10 C35 C34 117.2(8) . . ?
F11 C35 F12 96.2(10) . . ?
F11 C35 C34 115.1(8) . . ?
F12 C35 C34 110.2(10) . . ?
C39 C38 C37 121.5(11) . . ?
C39 C38 H38 119.3 . . ?
C37 C38 H38 119.3 . . ?
F9 C31 F8 102.3(12) . . ?
F9 C31 C32 113.1(11) . . ?
F8 C31 C32 114.6(9) . . ?
F7 C31 F9 111.8(12) . . ?
F7 C31 F8 102.1(11) . . ?
F7 C31 C32 112.1(11) . . ?
O7 C32 C33 128.0(8) . . ?
O7 C32 C31 114.5(9) . . ?
C33 C32 C31 117.6(9) . . ?
O17 C57 C58 129.5(9) . . ?
O17 C57 C56 113.4(9) . . ?
C58 C57 C56 117.1(10) . . ?
C14 C18 H18A 109.4 . . ?
C14 C18 H18B 109.4 . . ?
C14 C18 H18C 109.6 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C17 H17A 110.0 . . ?
C14 C17 H17B 110.3 . . ?
C14 C17 H17C 110.2 . . ?
H17A C17 H17B 108.7 . . ?
H17A C17 H17C 108.8 . . ?
H17B C17 H17C 108.8 . . ?
C47 C48 H48 119.1 . . ?
C49 C48 C47 121.9(10) . . ?
C49 C48 H48 119.1 . . ?
F2 C26 C27 110.5(10) . . ?
F1 C26 F2 105.7(12) . . ?
F1 C26 C27 109.1(14) . . ?
F3 C26 F2 105.7(16) . . ?
F3 C26 F1 111.3(13) . . ?
F3 C26 C27 114.2(12) . . ?
C27 C28 H28 119.4 . . ?
C29 C28 C27 121.3(10) . . ?
C29 C28 H28 119.3 . . ?
N2 C13 C14 103.3(7) . . ?
N2 C13 C15 109.2(12) . . ?
C14 C13 C15 118.8(13) . . ?
C16 C13 N2 107.8(12) . . ?
C16 C13 C14 119.1(15) . . ?
C16 C13 C15 98.2(13) . . ?
F30 C50 F29 105.9(17) . . ?
F30 C50 C49 110.3(11) . . ?
F28 C50 F30 111.2(14) . . ?
F28 C50 F29 107.3(14) . . ?
F28 C50 C49 112.7(16) . . ?
F29 C50 C49 109.1(12) . . ?
C13 C16 H16A 109.4 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
F4 C30 F6 100.5(11) . . ?
F4 C30 C29 114.5(11) . . ?
F6 C30 C29 110.6(10) . . ?
F5 C30 F4 111.2(12) . . ?
F5 C30 F6 105.7(14) . . ?
F5 C30 C29 113.3(11) . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C20 C24 H24A 109.4 . . ?
C20 C24 H24B 109.5 . . ?
C20 C24 H24C 109.5 . . ?
N5 C20 C25 96.1(9) . . ?
C21 C20 N5 103.8(8) . . ?
C21 C20 C25 101.2(9) . . ?
C24 C20 N5 117.1(10) . . ?
C24 C20 C21 134.9(12) . . ?
C24 C20 C25 93.1(12) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.4 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C13 C15 H15A 109.6 . . ?
C13 C15 H15B 109.6 . . ?
C13 C15 H15C 109.2 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C23 H23A 109.4 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
F13 C36 C37 106.1(18) . . ?
F15 C36 C37 112.0(19) . . ?
F15 C36 F13 112(2) . . ?
F15 C36 F14 105(2) . . ?
F14 C36 C37 106.4(17) . . ?
F14 C36 F13 115(2) . . ?
C20 C25 H25A 109.4 . . ?
C20 C25 H25B 109.3 . . ?
C20 C25 H25C 109.7 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?

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
Dy1 O2 N3 C12 -65.5(12) . . . . ?
Dy1 O2 N3 C14 114.7(9) . . . . ?
Dy1 O3 N4 C19 67.4(10) . . . . ?
Dy1 O3 N4 C21 -111.5(8) . . . . ?
Dy1 O13 C47 C46 -164.1(6) . . . . ?
Dy1 O13 C47 C48 15.1(12) . . . . ?
Dy1 O18 C59 C58 -7.9(16) . . . . ?
Dy1 O18 C59 C60 169.4(6) . . . . ?
Dy1 O15 C52 C53 7.2(14) . . . . ?
Dy1 O15 C52 C51 -172.6(6) . . . . ?
Dy1 O14 C49 C48 -17.8(17) . . . . ?
Dy1 O14 C49 C50 162.6(8) . . . . ?
Dy1 O16 C54 C53 -0.1(15) . . . . ?
Dy1 O16 C54 C55 -179.2(6) . . . . ?
Dy1 O17 C57 C58 11(2) . . . . ?
Dy1 O17 C57 C56 -171.2(10) . . . . ?
Cu2 O9 C39 C40 -179.7(5) . . . . ?
Cu2 O9 C39 C38 0.8(15) . . . . ?
Cu2 O10 C37 C38 0(2) . . . . ?
Cu2 O10 C37 C36 177.4(12) . . . . ?
Cu2 O1 N2 C12 -118.6(10) . . . . ?
Cu2 O1 N2 C13 64.9(17) . . . . ?
Cu3 O11 C44 C43 11.6(13) . . . . ?
Cu3 O11 C44 C45 -166.7(6) . . . . ?
Cu3 O12 C42 C43 0.8(12) . . . 3_665 ?
Cu3 O12 C42 C41 179.0(5) . . . . ?
Cu3 O4 N5 C19 -124.7(8) . . . . ?
Cu3 O4 N5 C20 59.7(14) . . . . ?
Cu1 O7 C32 C33 4.0(14) . . . . ?
Cu1 O7 C32 C31 -177.9(7) . . . . ?
Cu1 O6 C29 C28 -6.2(15) . . . . ?
Cu1 O6 C29 C30 172.5(8) . . . . ?
Cu1 O8 C34 C33 -13.5(13) . . . . ?
Cu1 O8 C34 C35 168.1(6) . . . . ?
Cu1 O5 C27 C26 178.4(8) . . . . ?
Cu1 O5 C27 C28 -2.4(16) . . . . ?
Cu1 N1 C1 C2 173.8(7) . . . . ?
Cu1 N1 C5 C4 -173.7(6) . . . . ?
F27 C46 C47 O13 -58.6(11) . . . . ?
F27 C46 C47 C48 122.2(10) . . . . ?
F25 C46 C47 O13 58.3(12) . . . . ?
F25 C46 C47 C48 -121.0(10) . . . . ?
F26 C46 C47 O13 -177.9(8) . . . . ?
F26 C46 C47 C48 2.8(13) . . . . ?
F38 C56 C57 O17 -68.1(18) . . . . ?
F38 C56 C57 C58 110.3(14) . . . . ?
F9 C31 C32 O7 -47.6(15) . . . . ?
F9 C31 C32 C33 130.7(12) . . . . ?
F8 C31 C32 O7 -164.4(11) . . . . ?
F8 C31 C32 C33 14.0(17) . . . . ?
F37 C56 C57 O17 51.6(16) . . . . ?
F37 C56 C57 C58 -130.0(13) . . . . ?
F39 C56 C57 O17 173.3(17) . . . . ?
F39 C56 C57 C58 -8(3) . . . . ?
F7 C31 C32 O7 79.8(14) . . . . ?
F7 C31 C32 C33 -101.8(13) . . . . ?
O2 N3 C12 N2 -178.9(8) . . . . ?
O2 N3 C12 C8 2.2(15) . . . . ?
O2 N3 C14 C18 45.1(15) . . . . ?
O2 N3 C14 C17 -72.5(12) . . . . ?
O2 N3 C14 C13 175.6(10) . . . . ?
O3 N4 C19 N5 -179.5(6) . . . . ?
O3 N4 C19 C10 -4.0(11) . . . . ?
O3 N4 C21 C20 -173.9(8) . . . . ?
O3 N4 C21 C22 83.0(10) . . . . ?
O3 N4 C21 C23 -38.1(14) . . . . ?
O9 C39 C40 F17 -62.1(11) . . . . ?
O9 C39 C40 F16 57.6(11) . . . . ?
O9 C39 C40 F18 179.9(8) . . . . ?
O9 C39 C38 C37 -1(2) . . . . ?
O11 C44 C45 F20 -17.0(13) . . . . ?
O11 C44 C45 F19 103.0(9) . . . . ?
O11 C44 C45 F21 -140.4(8) . . . . ?
O12 C42 C41 F23 171.3(8) . . . . ?
O12 C42 C41 F22 -72.4(12) . . . . ?
O12 C42 C41 F24 49.8(11) . . . . ?
O13 C47 C48 C49 4.1(15) . . . . ?
O18 C59 C58 C57 -6(2) . . . . ?
O18 C59 C60 F41 -168.3(12) . . . . ?
O18 C59 C60 F42 65.6(16) . . . . ?
O18 C59 C60 F40 -49.1(16) . . . . ?
O10 C37 C38 C39 0(2) . . . . ?
O10 C37 C36 F13 -68.4(19) . . . . ?
O10 C37 C36 F15 54(2) . . . . ?
O10 C37 C36 F14 168.6(18) . . . . ?
O15 C52 C53 C54 -1.7(14) . . . . ?
O15 C52 C51 F35 -53.2(11) . . . . ?
O15 C52 C51 F36 63.7(11) . . . . ?
O15 C52 C51 F34 -178.2(8) . . . . ?
O6 C29 C28 C27 1.7(17) . . . . ?
O6 C29 C30 F4 -177.3(11) . . . . ?
O6 C29 C30 F6 70.1(14) . . . . ?
O6 C29 C30 F5 -48.4(17) . . . . ?
O8 C34 C33 C32 -2.0(15) . . . . ?
O8 C34 C35 F10 -3.0(14) . . . . ?
O8 C34 C35 F11 -141.3(11) . . . . ?
O8 C34 C35 F12 111.2(10) . . . . ?
O14 C49 C48 C47 -2.7(18) . . . . ?
O14 C49 C50 F30 -52.9(19) . . . . ?
O14 C49 C50 F28 -177.9(13) . . . . ?
O14 C49 C50 F29 63.0(15) . . . . ?
O4 N5 C19 N4 177.8(7) . . . . ?
O4 N5 C19 C10 2.3(12) . . . . ?
O4 N5 C20 C21 -173.5(8) . . . . ?
O4 N5 C20 C24 -13.3(19) . . . . ?
O4 N5 C20 C25 83.3(10) . . . . ?
O5 C27 C26 F2 58.9(17) . . . . ?
O5 C27 C26 F1 -57.0(14) . . . . ?
O5 C27 C26 F3 177.8(14) . . . . ?
O5 C27 C28 C29 3.0(18) . . . . ?
O16 C54 C55 F31 60.4(12) . . . . ?
O16 C54 C55 F32 -56.5(11) . . . . ?
O16 C54 C55 F33 -177.2(8) . . . . ?
O1 N2 C12 N3 -173.8(10) . . . . ?
O1 N2 C12 C8 5.2(17) . . . . ?
O1 N2 C13 C14 171.4(11) . . . . ?
O1 N2 C13 C16 -61.7(18) . . . . ?
O1 N2 C13 C15 44.0(17) . . . . ?
N4 C21 C20 N5 -9.6(12) . . . . ?
N4 C21 C20 C24 -164.5(17) . . . . ?
N4 C21 C20 C25 89.6(9) . . . . ?
N1 C1 C2 C3 -0.9(15) . . . . ?
N3 C14 C13 N2 5.4(14) . . . . ?
N3 C14 C13 C16 -114.0(14) . . . . ?
N3 C14 C13 C15 126.4(12) . . . . ?
C11 C10 C9 C8 6.1(10) . . . . ?
C11 C10 C19 N4 -147.5(7) . . . . ?
C11 C10 C19 N5 27.3(11) . . . . ?
C11 C6 C7 C8 1.7(11) . . . . ?
C3 C4 C5 N1 0.5(13) . . . . ?
C3 C6 C7 C8 178.2(7) . . . . ?
C10 C11 C6 C3 -177.2(6) . . . . ?
C10 C11 C6 C7 -0.6(11) . . . . ?
C10 C9 C8 C7 -5.1(11) . . . . ?
C10 C9 C8 C12 171.0(7) . . . . ?
C9 C10 C19 N4 27.5(10) . . . . ?
C9 C10 C19 N5 -157.8(7) . . . . ?
C9 C8 C7 C6 1.2(11) . . . . ?
C9 C8 C12 N3 -27.3(13) . . . . ?
C9 C8 C12 N2 153.9(9) . . . . ?
C34 C33 C32 O7 6.6(16) . . . . ?
C34 C33 C32 C31 -171.5(10) . . . . ?
C19 N4 C21 C20 7.0(11) . . . . ?
C19 N4 C21 C22 -96.1(10) . . . . ?
C19 N4 C21 C23 142.8(11) . . . . ?
C19 N5 C20 C21 10.3(13) . . . . ?
C19 N5 C20 C24 170.6(13) . . . . ?
C19 N5 C20 C25 -92.8(9) . . . . ?
C19 C10 C9 C8 -169.0(7) . . . . ?
C4 C3 C6 C11 29.0(11) . . . . ?
C4 C3 C6 C7 -147.6(8) . . . . ?
C4 C3 C2 C1 2.4(13) . . . . ?
C52 C53 C54 O16 -1.7(14) . . . . ?
C52 C53 C54 C55 177.4(8) . . . . ?
C1 N1 C5 C4 1.1(12) . . . . ?
C53 C52 C51 F35 127.0(10) . . . . ?
C53 C52 C51 F36 -116.1(10) . . . . ?
C53 C52 C51 F34 2.0(13) . . . . ?
C53 C54 C55 F31 -118.8(10) . . . . ?
C53 C54 C55 F32 124.4(10) . . . . ?
C53 C54 C55 F33 3.7(13) . . . . ?
C6 C11 C10 C9 -3.3(10) . . . . ?
C6 C11 C10 C19 171.6(7) . . . . ?
C6 C3 C4 C5 178.4(7) . . . . ?
C6 C3 C2 C1 -178.2(8) . . . . ?
C43 C44 C45 F20 164.5(9) . . . . ?
C43 C44 C45 F19 -75.5(11) . . . . ?
C43 C44 C45 F21 41.1(12) . . . . ?
C43 C42 C41 F23 -10.3(12) 3_665 . . . ?
C43 C42 C41 F22 106.1(12) 3_665 . . . ?
C43 C42 C41 F24 -131.7(10) 3_665 . . . ?
C7 C8 C12 N3 148.8(9) . . . . ?
C7 C8 C12 N2 -30.0(14) . . . . ?
C5 N1 C1 C2 -1.0(13) . . . . ?
C42 C43 C44 O11 -4.3(15) 3_665 . . . ?
C42 C43 C44 C45 174.0(9) 3_665 . . . ?
C2 C3 C4 C5 -2.3(12) . . . . ?
C2 C3 C6 C11 -150.4(8) . . . . ?
C2 C3 C6 C7 33.0(11) . . . . ?
C21 N4 C19 N5 -0.5(9) . . . . ?
C21 N4 C19 C10 175.1(7) . . . . ?
C12 N3 C14 C18 -134.7(12) . . . . ?
C12 N3 C14 C17 107.7(11) . . . . ?
C12 N3 C14 C13 -4.3(14) . . . . ?
C12 N2 C13 C14 -5.5(15) . . . . ?
C12 N2 C13 C16 121.4(14) . . . . ?
C12 N2 C13 C15 -132.9(12) . . . . ?
C12 C8 C7 C6 -174.7(7) . . . . ?
C59 C58 C57 O17 5(2) . . . . ?
C59 C58 C57 C56 -173.5(14) . . . . ?
C40 C39 C38 C37 -179.9(12) . . . . ?
C14 N3 C12 N2 0.9(12) . . . . ?
C14 N3 C12 C8 -178.0(10) . . . . ?
C33 C34 C35 F10 178.4(11) . . . . ?
C33 C34 C35 F11 40.1(15) . . . . ?
C33 C34 C35 F12 -67.4(11) . . . . ?
C58 C59 C60 F41 9.2(18) . . . . ?
C58 C59 C60 F42 -116.8(15) . . . . ?
C58 C59 C60 F40 128.4(15) . . . . ?
C51 C52 C53 C54 178.1(8) . . . . ?
C46 C47 C48 C49 -176.8(9) . . . . ?
C60 C59 C58 C57 177.1(12) . . . . ?
C35 C34 C33 C32 176.4(9) . . . . ?
C38 C39 C40 F17 117.4(11) . . . . ?
C38 C39 C40 F16 -122.9(11) . . . . ?
C38 C39 C40 F18 -0.6(13) . . . . ?
C38 C37 C36 F13 108.9(19) . . . . ?
C38 C37 C36 F15 -128.7(18) . . . . ?
C38 C37 C36 F14 -14(3) . . . . ?
C18 C14 C13 N2 129.6(14) . . . . ?
C18 C14 C13 C16 10(2) . . . . ?
C18 C14 C13 C15 -109.3(18) . . . . ?
C17 C14 C13 N2 -103.7(12) . . . . ?
C17 C14 C13 C16 136.9(15) . . . . ?
C17 C14 C13 C15 17.4(16) . . . . ?
C48 C49 C50 F30 127.5(15) . . . . ?
C48 C49 C50 F28 2(2) . . . . ?
C48 C49 C50 F29 -116.6(15) . . . . ?
C26 C27 C28 C29 -177.8(11) . . . . ?
C28 C27 C26 F2 -120.4(13) . . . . ?
C28 C27 C26 F1 123.7(12) . . . . ?
C28 C27 C26 F3 -1(2) . . . . ?
C28 C29 C30 F4 1.5(17) . . . . ?
C28 C29 C30 F6 -111.1(12) . . . . ?
C28 C29 C30 F5 130.5(14) . . . . ?
C13 N2 C12 N3 3.0(13) . . . . ?
C13 N2 C12 C8 -178.0(10) . . . . ?
C50 C49 C48 C47 176.9(10) . . . . ?
C30 C29 C28 C27 -176.9(11) . . . . ?
C20 N5 C19 N4 -6.1(10) . . . . ?
C20 N5 C19 C10 178.4(9) . . . . ?
C22 C21 C20 N5 96.0(10) . . . . ?
C22 C21 C20 C24 -59(2) . . . . ?
C22 C21 C20 C25 -164.9(9) . . . . ?
C23 C21 C20 N5 -140.5(12) . . . . ?
C23 C21 C20 C24 65(2) . . . . ?
C23 C21 C20 C25 -41.4(15) . . . . ?
C36 C37 C38 C39 -176.9(16) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
