# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_p130530c
_database_code_depnum_ccdc_archive 'CCDC 997126'
_audit_update_record             
;
2014-12-24 deposited with the CCDC.
2015-02-04 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C109 H98 Cu2 F60 Gd2 N20 O24'
_chemical_formula_weight         3653.65

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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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+1/2, -z'

_cell_length_a                   16.8896(5)
_cell_length_b                   17.5155(5)
_cell_length_c                   25.1035(9)
_cell_angle_alpha                90
_cell_angle_beta                 92.938(3)
_cell_angle_gamma                90
_cell_volume                     7416.6(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    16081
_cell_measurement_theta_min      3.4420
_cell_measurement_theta_max      27.0810

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.636
_exptl_crystal_F_000             3620
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    1.309
_shelx_estimated_absorpt_T_min   0.762
_shelx_estimated_absorpt_T_max   0.914
_exptl_absorpt_correction_type   multi_scan
_exptl_absorpt_correction_T_min  0.882
_exptl_absorpt_correction_T_max  0.912
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            45335
_diffrn_reflns_av_unetI/netI     0.0982
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         3.051
_diffrn_reflns_theta_max         29.213
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.860
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.860
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.859
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             29572
_reflns_number_gt                23478
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.939
_reflns_Friedel_fraction_max     0.859
_reflns_Friedel_fraction_full    0.998

_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       CrysAlis
_computing_cell_refinement       CrysAlis
_computing_data_reduction        CrysAlis
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    diamond
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0778P)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_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.632(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         29572
_refine_ls_number_parameters     2001
_refine_ls_number_restraints     756
_refine_ls_R_factor_all          0.0820
_refine_ls_R_factor_gt           0.0654
_refine_ls_wR_factor_ref         0.1713
_refine_ls_wR_factor_gt          0.1536
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.089
_refine_ls_shift/su_max          0.075
_refine_ls_shift/su_mean         0.001

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
C1 C 0.7796(4) 1.3313(5) 0.0726(3) 0.064(2) Uani 1 1 d . . . . .
C2 C 0.7613(3) 1.3190(3) 0.1300(2) 0.0400(16) Uani 1 1 d . . . . .
C3 C 0.6952(3) 1.2711(3) 0.1404(2) 0.0417(16) Uani 1 1 d . . . . .
H3 H 0.6680 1.2480 0.1115 0.050 Uiso 1 1 calc R U . . .
C4 C 0.6699(3) 1.2575(3) 0.1900(2) 0.0404(16) Uani 1 1 d . . . . .
C5 C 0.5960(4) 1.2063(4) 0.1963(3) 0.0491(18) Uani 1 1 d . . . . .
C6 C 0.9414(4) 1.5341(4) 0.3003(3) 0.072(2) Uani 1 1 d . . . . .
C7 C 0.8725(3) 1.4777(4) 0.3041(3) 0.0468(18) Uani 1 1 d . . . . .
C8 C 0.8409(3) 1.4686(4) 0.3525(3) 0.053(2) Uani 1 1 d . . . . .
H8 H 0.8623 1.4977 0.3807 0.064 Uiso 1 1 calc R U . . .
C9 C 0.7787(3) 1.4187(4) 0.3632(2) 0.0399(16) Uani 1 1 d . . . . .
C10 C 0.7480(4) 1.4158(5) 0.4201(3) 0.066(2) Uani 1 1 d . . . . .
C11 C 0.8712(5) 1.1210(4) 0.5539(5) 0.122(3) Uani 1 1 d D U . . .
C12 C 0.8237(4) 1.0514(4) 0.5691(4) 0.095(3) Uani 1 1 d D U . . .
C13 C 0.8076(5) 1.0340(6) 0.6158(4) 0.102(3) Uani 1 1 d . U . . .
H13 H 0.8213 1.0701 0.6418 0.123 Uiso 1 1 calc R U . . .
C14 C 0.7721(6) 0.9679(7) 0.6338(3) 0.119(3) Uani 1 1 d D U . . .
C15 C 0.7597(4) 0.9541(4) 0.6925(3) 0.198(4) Uani 1 1 d D U . . .
C16 C 0.5152(4) 1.0413(5) 0.5308(3) 0.072(2) Uani 1 1 d . U . . .
C17 C 0.5666(3) 0.9809(4) 0.5047(3) 0.0511(18) Uani 1 1 d . U . . .
C18 C 0.5339(4) 0.9428(4) 0.4613(3) 0.059(2) Uani 1 1 d . U . . .
H18 H 0.4828 0.9548 0.4485 0.071 Uiso 1 1 calc R U . . .
C19 C 0.5754(4) 0.8878(4) 0.4370(3) 0.061(2) Uani 1 1 d . U . . .
C20 C 0.5359(5) 0.8441(7) 0.3883(4) 0.102(3) Uani 1 1 d . U . . .
C21 C 1.0058(5) 0.8260(6) 0.5681(4) 0.094(3) Uani 1 1 d . U . . .
C22 C 0.9297(4) 0.8177(4) 0.5344(3) 0.060(2) Uani 1 1 d . U . . .
C23 C 0.9272(4) 0.7652(5) 0.4950(3) 0.066(2) Uani 1 1 d . U . . .
H23 H 0.9727 0.7372 0.4892 0.080 Uiso 1 1 calc R U . . .
C24 C 0.8592(4) 0.7512(5) 0.4628(3) 0.074(2) Uani 1 1 d . U . . .
C25 C 0.8627(6) 0.6920(6) 0.4153(4) 0.103(3) Uani 1 1 d . U . . .
C26 C 0.8927(5) 0.5405(5) 0.7847(4) 0.082(3) Uani 1 1 d . . . . .
C27 C 0.8312(3) 0.4796(4) 0.7912(3) 0.0502(18) Uani 1 1 d . U . . .
C28 C 0.8100(4) 0.4620(5) 0.8433(3) 0.068(2) Uani 1 1 d . . . . .
H28 H 0.8369 0.4869 0.8715 0.082 Uiso 1 1 calc R U . . .
C29 C 0.7511(4) 0.4094(4) 0.8555(3) 0.0520(18) Uani 1 1 d . . . . .
C30 C 0.7394(6) 0.3882(6) 0.9137(3) 0.099(3) Uani 1 1 d . U . . .
C31 C 0.7216(4) 0.3170(6) 0.5716(3) 0.075(3) Uani 1 1 d . . . . .
C32 C 0.7021(4) 0.3074(4) 0.6295(3) 0.0499(18) Uani 1 1 d . U . . .
C33 C 0.6605(4) 0.2426(4) 0.6443(3) 0.063(2) Uani 1 1 d . U . . .
H33 H 0.6525 0.2034 0.6197 0.075 Uiso 1 1 calc R U . . .
C34 C 0.6305(4) 0.2345(4) 0.6946(3) 0.062(2) Uani 1 1 d . . . . .
C35 C 0.5852(6) 0.1591(6) 0.7038(4) 0.127(4) Uani 1 1 d . . . . .
C36 C 0.6262(7) 0.0317(7) 1.0832(5) 0.129(3) Uani 1 1 d . U . . .
C37 C 0.6237(4) -0.0260(5) 1.0336(4) 0.077(2) Uani 1 1 d . U . . .
C38 C 0.5570(4) -0.0410(5) 1.0067(3) 0.071(2) Uani 1 1 d . U . . .
H38 H 0.5112 -0.0148 1.0146 0.085 Uiso 1 1 calc R U . . .
C39 C 0.5541(3) -0.0947(4) 0.9672(2) 0.0434(15) Uani 1 1 d . U . . .
C40 C 0.4729(4) -0.1092(5) 0.9384(3) 0.074(2) Uani 1 1 d . U . . .
C41 C 0.9720(4) -0.3019(4) 0.9409(4) 0.072(2) Uani 1 1 d . U . . .
C42 C 0.9265(3) -0.2380(4) 0.9704(3) 0.0558(19) Uani 1 1 d . U . . .
C43 C 0.9675(3) -0.1916(4) 1.0027(3) 0.061(2) Uani 1 1 d . U . . .
H43 H 1.0217 -0.1994 1.0083 0.073 Uiso 1 1 calc R U . . .
C44 C 0.9326(4) -0.1317(5) 1.0285(3) 0.072(2) Uani 1 1 d . U . . .
C45 C 0.9838(3) -0.0787(3) 1.0651(2) 0.128(4) Uani 1 1 d D U . . .
C46 C 0.6362(4) -0.4016(3) 0.9735(3) 0.135(4) Uani 1 1 d D U . . .
C47 C 0.6706(4) -0.3299(4) 0.9487(4) 0.084(3) Uani 1 1 d D U . . .
C48 C 0.6673(6) -0.3296(7) 0.8960(5) 0.125(4) Uani 1 1 d . U . . .
H48 H 0.6484 -0.3725 0.8776 0.149 Uiso 1 1 calc R U . . .
C49 C 0.6924(6) -0.2644(7) 0.8668(3) 0.126(4) Uani 1 1 d D U . . .
C50 C 0.6904(4) -0.2467(4) 0.8075(3) 0.195(5) Uani 1 1 d D U . . .
C51 C 0.7097(4) -0.2604(5) 1.0920(3) 0.063(2) Uani 1 1 d . . . . .
C52 C 0.6696(3) -0.3807(5) 1.1512(3) 0.058(2) Uani 1 1 d . . . . .
C53 C 0.5057(4) -0.2425(5) 1.0672(4) 0.108(3) Uani 1 1 d . U . . .
H53A H 0.5261 -0.2691 1.0373 0.162 Uiso 1 1 calc R U . . .
H53B H 0.4696 -0.2035 1.0544 0.162 Uiso 1 1 calc R U . . .
H53C H 0.4784 -0.2779 1.0890 0.162 Uiso 1 1 calc R U . . .
C54 C 0.5739(4) -0.2062(5) 1.1000(3) 0.064(2) Uani 1 1 d . U . . .
H54 H 0.5967 -0.1658 1.0785 0.076 Uiso 1 1 calc R U . . .
C55 C 0.5492(6) -0.1710(8) 1.1514(4) 0.158(5) Uani 1 1 d . U . . .
H55A H 0.5171 -0.2067 1.1697 0.237 Uiso 1 1 calc R U . . .
H55B H 0.5193 -0.1254 1.1436 0.237 Uiso 1 1 calc R U . . .
H55C H 0.5955 -0.1587 1.1735 0.237 Uiso 1 1 calc R U . . .
C56 C 0.8567(6) -0.3919(6) 1.0487(4) 0.129(4) Uani 1 1 d . U . . .
H56A H 0.8636 -0.4367 1.0705 0.193 Uiso 1 1 calc R U . . .
H56B H 0.9026 -0.3850 1.0282 0.193 Uiso 1 1 calc R U . . .
H56C H 0.8107 -0.3980 1.0250 0.193 Uiso 1 1 calc R U . . .
C57 C 0.8453(5) -0.3169(6) 1.0870(4) 0.107(3) Uani 1 1 d . U . . .
H57 H 0.8561 -0.2705 1.0667 0.129 Uiso 1 1 calc R U . . .
C58 C 0.8973(6) -0.3201(8) 1.1317(5) 0.149(5) Uani 1 1 d . U . . .
H58A H 0.8921 -0.2746 1.1525 0.224 Uiso 1 1 calc R U . . .
H58B H 0.9507 -0.3242 1.1206 0.224 Uiso 1 1 calc R U . . .
H58C H 0.8850 -0.3638 1.1528 0.224 Uiso 1 1 calc R U . . .
C59 C 0.9108(6) -0.1157(6) 0.8273(4) 0.127(4) Uani 1 1 d . U . . .
H59A H 0.8552 -0.1267 0.8227 0.190 Uiso 1 1 calc R U . . .
H59B H 0.9399 -0.1626 0.8314 0.190 Uiso 1 1 calc R U . . .
H59C H 0.9279 -0.0888 0.7966 0.190 Uiso 1 1 calc R U . . .
C60 C 0.9267(4) -0.0642(4) 0.8791(3) 0.0568(19) Uani 1 1 d . U . . .
H60 H 0.9172 -0.0939 0.9113 0.068 Uiso 1 1 calc R U . . .
C61 C 1.0089(5) -0.0394(6) 0.8799(5) 0.124(4) Uani 1 1 d . U . . .
H61A H 1.0317 -0.0542 0.8472 0.187 Uiso 1 1 calc R U . . .
H61B H 1.0380 -0.0628 0.9094 0.187 Uiso 1 1 calc R U . . .
H61C H 1.0113 0.0151 0.8835 0.187 Uiso 1 1 calc R U . . .
C62 C 0.8010(4) -0.0053(4) 0.8956(3) 0.066(2) Uani 1 1 d . . . . .
C63 C 0.6810(5) 0.1407(6) 0.9541(4) 0.118(4) Uani 1 1 d . U . . .
H63A H 0.7334 0.1456 0.9704 0.177 Uiso 1 1 calc R U . . .
H63B H 0.6434 0.1361 0.9813 0.177 Uiso 1 1 calc R U . . .
H63C H 0.6687 0.1850 0.9327 0.177 Uiso 1 1 calc R U . . .
C64 C 0.6768(5) 0.0670(6) 0.9175(4) 0.086(3) Uani 1 1 d . U . . .
H64 H 0.6701 0.0226 0.9406 0.103 Uiso 1 1 calc R U . . .
C65 C 0.6077(4) 0.0713(5) 0.8803(3) 0.078(3) Uani 1 1 d . U . . .
H65A H 0.6105 0.1169 0.8592 0.117 Uiso 1 1 calc R U . . .
H65B H 0.5603 0.0723 0.8998 0.117 Uiso 1 1 calc R U . . .
H65C H 0.6067 0.0275 0.8573 0.117 Uiso 1 1 calc R U . . .
C66 C 0.8336(3) 0.1096(3) 0.8321(3) 0.0444(17) Uani 1 1 d . . . . .
C67 C 0.7928(3) 0.2276(3) 0.7855(2) 0.0412(15) Uani 1 1 d . . . . .
H67 H 0.7453 0.2237 0.8025 0.049 Uiso 1 1 calc R U . . .
C68 C 0.8506(4) 0.1731(3) 0.7948(2) 0.0437(16) Uani 1 1 d . . . . .
C69 C 0.9205(3) 0.1756(4) 0.7698(3) 0.0510(18) Uani 1 1 d . . . . .
H69 H 0.9593 0.1385 0.7755 0.061 Uiso 1 1 calc R U . . .
C70 C 0.9306(4) 0.2384(4) 0.7347(3) 0.069(2) Uani 1 1 d . . . . .
H70 H 0.9770 0.2436 0.7167 0.083 Uiso 1 1 calc R U . . .
C71 C 0.8734(3) 0.2888(4) 0.7280(3) 0.0504(18) Uani 1 1 d . . . . .
H71 H 0.8819 0.3291 0.7049 0.061 Uiso 1 1 calc R U . . .
C72 C 0.5713(3) 0.4517(4) 0.7582(3) 0.0451(17) Uani 1 1 d . . . . .
H72 H 0.5598 0.4107 0.7800 0.054 Uiso 1 1 calc R U . . .
C73 C 0.5195(4) 0.5130(4) 0.7547(3) 0.0515(18) Uani 1 1 d . . . . .
H73 H 0.4752 0.5141 0.7753 0.062 Uiso 1 1 calc R U . . .
C74 C 0.5341(3) 0.5721(3) 0.7205(2) 0.0424(16) Uani 1 1 d . . . . .
H74 H 0.4985 0.6125 0.7164 0.051 Uiso 1 1 calc R U . . .
C75 C 0.6017(3) 0.5710(3) 0.6926(2) 0.0326(14) Uani 1 1 d . . . . .
C76 C 0.6516(3) 0.5086(3) 0.6985(2) 0.0354(14) Uani 1 1 d . . . . .
H76 H 0.6971 0.5073 0.6792 0.043 Uiso 1 1 calc R U . . .
C77 C 0.6223(3) 0.6328(3) 0.6559(2) 0.0350(14) Uani 1 1 d . . . . .
C78 C 0.8527(3) 0.6610(5) 0.6163(3) 0.078(3) Uani 1 1 d . . . . .
H78A H 0.8534 0.7064 0.6378 0.117 Uiso 1 1 calc R U . . .
H78B H 0.9026 0.6557 0.6000 0.117 Uiso 1 1 calc R U . . .
H78C H 0.8440 0.6173 0.6384 0.117 Uiso 1 1 calc R U . . .
C79 C 0.7875(4) 0.6664(4) 0.5740(4) 0.069(2) Uani 1 1 d . . . . .
H79 H 0.7979 0.7106 0.5514 0.083 Uiso 1 1 calc R U . . .
C80 C 0.7806(4) 0.5956(5) 0.5386(3) 0.076(3) Uani 1 1 d . . . . .
H80A H 0.8318 0.5725 0.5365 0.115 Uiso 1 1 calc R U . . .
H80B H 0.7608 0.6100 0.5035 0.115 Uiso 1 1 calc R U . . .
H80C H 0.7448 0.5599 0.5536 0.115 Uiso 1 1 calc R U . . .
C81 C 0.5010(5) 0.8286(5) 0.6509(3) 0.106(3) Uani 1 1 d . . . . .
H81A H 0.4768 0.7843 0.6655 0.158 Uiso 1 1 calc R U . . .
H81B H 0.4614 0.8670 0.6436 0.158 Uiso 1 1 calc R U . . .
H81C H 0.5408 0.8480 0.6759 0.158 Uiso 1 1 calc R U . . .
C82 C 0.5376(3) 0.8079(4) 0.6012(3) 0.0500(18) Uani 1 1 d . . . . .
H82 H 0.5673 0.8522 0.5892 0.060 Uiso 1 1 calc R U . . .
C83 C 0.4805(4) 0.7849(5) 0.5577(4) 0.091(3) Uani 1 1 d . . . . .
H83A H 0.5084 0.7613 0.5296 0.136 Uiso 1 1 calc R U . . .
H83B H 0.4528 0.8292 0.5440 0.136 Uiso 1 1 calc R U . . .
H83C H 0.4432 0.7493 0.5711 0.136 Uiso 1 1 calc R U . . .
C84 C 0.6652(3) 0.7422(4) 0.5876(3) 0.0502(17) Uani 1 1 d . . . . .
C85 C 0.8222(3) 0.9925(4) 0.4092(2) 0.0447(17) Uani 1 1 d . . . . .
C86 C 1.0271(5) 0.9792(6) 0.4412(4) 0.121(4) Uani 1 1 d . . . . .
H86A H 1.0620 0.9993 0.4157 0.181 Uiso 1 1 calc R U . . .
H86B H 1.0551 0.9426 0.4635 0.181 Uiso 1 1 calc R U . . .
H86C H 1.0085 1.0200 0.4628 0.181 Uiso 1 1 calc R U . . .
C87 C 0.9594(4) 0.9420(4) 0.4132(3) 0.062(2) Uani 1 1 d . . . . .
H87 H 0.9360 0.9057 0.4376 0.075 Uiso 1 1 calc R U . . .
C88 C 0.9832(5) 0.8992(6) 0.3641(4) 0.149(4) Uani 1 1 d . . . . .
H88A H 0.9365 0.8820 0.3442 0.223 Uiso 1 1 calc R U . . .
H88B H 1.0153 0.8560 0.3747 0.223 Uiso 1 1 calc R U . . .
H88C H 1.0130 0.9325 0.3422 0.223 Uiso 1 1 calc R U . . .
C89 C 0.6614(6) 1.1202(6) 0.4210(5) 0.163(5) Uani 1 1 d . U . . .
H89A H 0.6821 1.1291 0.4568 0.245 Uiso 1 1 calc R U . . .
H89B H 0.6045 1.1185 0.4205 0.245 Uiso 1 1 calc R U . . .
H89C H 0.6777 1.1609 0.3984 0.245 Uiso 1 1 calc R U . . .
C90 C 0.6901(4) 1.0511(5) 0.4027(4) 0.082(3) Uani 1 1 d . U . . .
H90 H 0.6823 1.0127 0.4303 0.098 Uiso 1 1 calc R U . . .
C91 C 0.6424(8) 1.0248(9) 0.3512(6) 0.206(7) Uani 1 1 d . U . . .
H91A H 0.5870 1.0226 0.3580 0.309 Uiso 1 1 calc R U . . .
H91B H 0.6603 0.9752 0.3410 0.309 Uiso 1 1 calc R U . . .
H91C H 0.6504 1.0605 0.3230 0.309 Uiso 1 1 calc R U . . .
C92 C 0.8720(3) 1.1112(4) 0.3511(2) 0.0409(16) Uani 1 1 d . . . . .
C93 C 0.8426(3) 1.2296(4) 0.3020(2) 0.0415(16) Uani 1 1 d . . . . .
H93 H 0.7923 1.2271 0.3153 0.050 Uiso 1 1 calc R U . . .
C94 C 0.8974(3) 1.1739(4) 0.3165(2) 0.0423(17) Uani 1 1 d . . . . .
C95 C 0.9711(3) 1.1768(4) 0.2956(3) 0.0497(18) Uani 1 1 d . . . . .
H95 H 1.0087 1.1395 0.3044 0.060 Uiso 1 1 calc R U . . .
C96 C 0.9886(4) 1.2352(5) 0.2619(3) 0.068(2) Uani 1 1 d . . . . .
H96 H 1.0386 1.2386 0.2481 0.081 Uiso 1 1 calc R U . . .
C97 C 0.9307(3) 1.2893(4) 0.2486(3) 0.0546(19) Uani 1 1 d . . . . .
H97 H 0.9419 1.3279 0.2247 0.065 Uiso 1 1 calc R U . . .
C98 C 0.7041(3) 1.4987(4) 0.1970(3) 0.0523(19) Uani 1 1 d . . . . .
H98 H 0.7538 1.5028 0.1830 0.063 Uiso 1 1 calc R U . . .
C99 C 0.6482(3) 1.5561(4) 0.1845(3) 0.0471(18) Uani 1 1 d . . . . .
C100 C 0.5746(4) 1.5497(5) 0.2071(3) 0.062(2) Uani 1 1 d . . . . .
H100 H 0.5357 1.5868 0.2013 0.075 Uiso 1 1 calc R U . . .
C101 C 0.5617(4) 1.4871(5) 0.2381(3) 0.070(2) Uani 1 1 d . . . . .
H101 H 0.5125 1.4808 0.2525 0.084 Uiso 1 1 calc R U . . .
C102 C 0.6187(3) 1.4340(5) 0.2481(3) 0.060(2) Uani 1 1 d . . . . .
H102 H 0.6082 1.3927 0.2699 0.071 Uiso 1 1 calc R U . . .
C103 C 0.8480(8) 1.1053(8) 0.1660(6) 0.191(7) Uani 1 1 d . U . . .
H10A H 0.9036 1.0962 0.1730 0.286 Uiso 1 1 calc R U . . .
H10B H 0.8383 1.1593 0.1647 0.286 Uiso 1 1 calc R U . . .
H10C H 0.8314 1.0829 0.1323 0.286 Uiso 1 1 calc R U . . .
C104 C 0.8064(15) 1.0734(16) 0.2055(12) 0.404(6) Uani 1 1 d . U . . .
H10D H 0.7499 1.0809 0.1989 0.485 Uiso 1 1 calc R U . . .
H10E H 0.8225 1.0947 0.2400 0.485 Uiso 1 1 calc R U . . .
C105 C 0.8296(10) 0.9847(10) 0.2020(7) 0.223(5) Uani 1 1 d . U . . .
H10F H 0.8135 0.9638 0.1673 0.267 Uiso 1 1 calc R U . . .
H10G H 0.8864 0.9778 0.2080 0.267 Uiso 1 1 calc R U . . .
C106 C 0.7890(10) 0.9498(4) 0.2418(7) 0.239(6) Uani 1 1 d D U . . .
H10H H 0.7357 0.9704 0.2413 0.287 Uiso 1 1 calc R U . . .
H10I H 0.8149 0.9625 0.2760 0.287 Uiso 1 1 calc R U . . .
C107 C 0.7841(8) 0.8633(4) 0.2367(4) 0.248(6) Uani 1 1 d D U . . .
H10J H 0.8384 0.8458 0.2353 0.298 Uiso 1 1 calc R U . . .
H10K H 0.7592 0.8535 0.2017 0.298 Uiso 1 1 calc R U . . .
C108 C 0.7444(7) 0.8087(4) 0.2747(4) 0.238(6) Uani 1 1 d D U . . .
H10L H 0.6933 0.8326 0.2789 0.285 Uiso 1 1 calc R U . . .
H10M H 0.7740 0.8174 0.3082 0.285 Uiso 1 1 calc R U . . .
C109 C 0.7248(9) 0.7235(4) 0.2773(8) 0.238(8) Uani 1 1 d D U . . .
H10N H 0.6684 0.7170 0.2784 0.358 Uiso 1 1 calc R U . . .
H10O H 0.7503 0.7017 0.3088 0.358 Uiso 1 1 calc R U . . .
H10P H 0.7433 0.6983 0.2463 0.358 Uiso 1 1 calc R U . . .
Cu1 Cu 0.71839(4) 0.36685(4) 0.74034(3) 0.03717(17) Uani 1 1 d . . . . .
Cu2 Cu 0.77530(4) 1.36345(5) 0.24766(3) 0.04180(19) Uani 1 1 d . . . . .
Gd1 Gd 0.74373(2) -0.15841(2) 0.97830(2) 0.03299(6) Uani 1 1 d . . . . .
Gd2 Gd 0.74639(2) 0.89254(2) 0.51443(2) 0.03704(7) Uani 1 1 d . . . . .
F1 F 0.7704(4) 1.4029(4) 0.0597(2) 0.137(2) Uani 1 1 d . U . . .
F2 F 0.8542(2) 1.3190(4) 0.06530(18) 0.114(2) Uani 1 1 d . U . . .
F3 F 0.7364(3) 1.2929(4) 0.03759(17) 0.1080(19) Uani 1 1 d . U . . .
F4 F 0.5436(2) 1.2390(3) 0.22489(18) 0.0742(14) Uani 1 1 d . U . . .
F5 F 0.6168(3) 1.1406(2) 0.2186(2) 0.0911(17) Uani 1 1 d . U . . .
F6 F 0.5593(2) 1.1903(3) 0.14876(17) 0.0885(15) Uani 1 1 d . U . . .
F7 F 0.9702(3) 1.5587(4) 0.3454(2) 0.157(2) Uani 1 1 d . U . . .
F8 F 0.9999(2) 1.5051(3) 0.2778(2) 0.0931(17) Uani 1 1 d . U . . .
F9 F 0.9196(3) 1.5937(3) 0.2726(3) 0.151(3) Uani 1 1 d . U . . .
F10 F 0.7934(2) 1.4519(3) 0.45612(17) 0.0924(17) Uani 1 1 d . U . . .
F11 F 0.6774(2) 1.4394(4) 0.4215(2) 0.114(2) Uani 1 1 d . U . . .
F12 F 0.7489(3) 1.3412(4) 0.43670(17) 0.1100(19) Uani 1 1 d . U . . .
F13 F 0.8815(6) 1.1644(5) 0.5951(5) 0.245(5) Uani 1 1 d . U . . .
F14 F 0.9412(4) 1.1047(4) 0.5394(4) 0.200(4) Uani 1 1 d . U . . .
F15 F 0.8441(4) 1.1581(4) 0.5090(4) 0.174(3) Uani 1 1 d . U . . .
F16 F 0.7820(5) 1.0148(3) 0.7216(4) 0.315(5) Uani 1 1 d D U . . .
F17 F 0.8009(4) 0.8950(3) 0.7118(4) 0.284(6) Uani 1 1 d D U . . .
F18 F 0.6843(3) 0.9409(5) 0.7021(3) 0.216(4) Uani 1 1 d D U . . .
F19 F 0.4931(3) 1.0147(3) 0.5790(2) 0.122(2) Uani 1 1 d . U . . .
F20 F 0.4520(3) 1.0604(4) 0.5043(3) 0.144(2) Uani 1 1 d . U . . .
F21 F 0.5544(3) 1.1030(3) 0.5428(2) 0.1003(19) Uani 1 1 d . U . . .
F22 F 0.5188(4) 0.7741(4) 0.4040(3) 0.171(3) Uani 1 1 d . U . . .
F23 F 0.5811(4) 0.8428(6) 0.3493(3) 0.196(3) Uani 1 1 d . U . . .
F24 F 0.4715(3) 0.8764(3) 0.3696(2) 0.1177(19) Uani 1 1 d . U . . .
F25 F 0.9952(3) 0.8302(4) 0.6192(2) 0.127(2) Uani 1 1 d . U . . .
F26 F 1.0543(3) 0.7667(5) 0.5663(3) 0.178(3) Uani 1 1 d . U . . .
F27 F 1.0433(3) 0.8890(5) 0.5566(3) 0.187(3) Uani 1 1 d . U . . .
F28 F 0.9003(4) 0.6280(4) 0.4377(3) 0.157(3) Uani 1 1 d . U . . .
F29 F 0.7979(4) 0.6711(4) 0.4015(3) 0.171(3) Uani 1 1 d . U . . .
F30 F 0.9059(5) 0.7181(5) 0.3787(3) 0.191(3) Uani 1 1 d . U . . .
F31 F 0.9302(4) 0.5653(4) 0.8281(3) 0.167(3) Uani 1 1 d . U . . .
F32 F 0.9530(3) 0.5131(4) 0.7568(3) 0.143(3) Uani 1 1 d . U . . .
F33 F 0.8683(3) 0.5995(3) 0.7562(3) 0.118(2) Uani 1 1 d . U . . .
F34 F 0.7757(4) 0.3222(4) 0.9238(2) 0.152(2) Uani 1 1 d . U . . .
F35 F 0.7756(3) 0.4390(4) 0.94705(19) 0.122(2) Uani 1 1 d . U . . .
F36 F 0.6653(3) 0.3847(4) 0.9237(2) 0.121(2) Uani 1 1 d . U . . .
F37 F 0.7955(3) 0.3294(3) 0.56365(18) 0.0891(16) Uani 1 1 d . U . . .
F38 F 0.7000(3) 0.2589(4) 0.5403(2) 0.117(2) Uani 1 1 d . U . . .
F39 F 0.6811(3) 0.3770(3) 0.55018(18) 0.121(2) Uani 1 1 d . U . . .
F40 F 0.6066(4) 0.1266(3) 0.7452(2) 0.133(2) Uani 1 1 d . U . . .
F41 F 0.5074(4) 0.1862(5) 0.7168(3) 0.187(4) Uani 1 1 d . U . . .
F42 F 0.5705(5) 0.1177(4) 0.6672(3) 0.195(3) Uani 1 1 d . U . . .
F43 F 0.5604(5) 0.0745(6) 1.0766(5) 0.292(4) Uani 1 1 d . U . . .
F44 F 0.6226(6) -0.0022(5) 1.1269(3) 0.233(4) Uani 1 1 d . U . . .
F45 F 0.6753(4) 0.0803(3) 1.0818(3) 0.169(3) Uani 1 1 d . U . . .
F46 F 0.4501(3) -0.1802(4) 0.9447(3) 0.140(2) Uani 1 1 d . U . . .
F47 F 0.4196(3) -0.0648(4) 0.9499(3) 0.178(3) Uani 1 1 d . U . . .
F48 F 0.4791(3) -0.1038(4) 0.8872(2) 0.124(2) Uani 1 1 d . U . . .
F49 F 0.9270(3) -0.3660(3) 0.9346(3) 0.120(2) Uani 1 1 d . U . . .
F50 F 1.0371(3) -0.3220(3) 0.9661(3) 0.126(2) Uani 1 1 d . U . . .
F51 F 0.9868(3) -0.2811(4) 0.8933(3) 0.135(2) Uani 1 1 d . U . . .
F52 F 0.9854(5) -0.1128(4) 1.1110(2) 0.163(5) Uani 0.627(6) 1 d D U P A 1
F53 F 1.0557(3) -0.0710(5) 1.0482(3) 0.136(4) Uani 0.627(6) 1 d D U P A 1
F54 F 0.9540(4) -0.0092(3) 1.0687(4) 0.159(4) Uani 0.627(6) 1 d D U P A 1
F55 F 0.6190(4) -0.4571(3) 0.9398(2) 0.210(4) Uani 1 1 d D U . . .
F56 F 0.6842(3) -0.4276(4) 1.0128(2) 0.227(4) Uani 1 1 d D U . . .
F57 F 0.5687(3) -0.3831(3) 0.9960(3) 0.231(4) Uani 1 1 d D U . . .
F58 F 0.7624(3) -0.2505(4) 0.7877(3) 0.217(4) Uani 1 1 d D U . . .
F59 F 0.6507(4) -0.3056(3) 0.7860(4) 0.313(6) Uani 1 1 d D U . . .
F60 F 0.6576(4) -0.1838(3) 0.7861(4) 0.330(7) Uani 1 1 d D U . . .
F52' F 1.0475(4) -0.1176(4) 1.0844(4) 0.149(6) Uani 0.373(6) 1 d D U P A 2
F53' F 1.0087(7) -0.0216(4) 1.0365(3) 0.217(9) Uani 0.373(6) 1 d D U P A 2
F54' F 0.9511(4) -0.0503(6) 1.1076(3) 0.148(6) Uani 0.373(6) 1 d D U P A 2
N1 N 0.6366(3) -0.2672(4) 1.1102(2) 0.0595(18) Uani 1 1 d . . . . .
N2 N 0.6140(3) -0.3293(4) 1.1403(2) 0.0593(17) Uani 1 1 d . . . . .
N3 N 0.7441(3) -0.3780(4) 1.1355(2) 0.084(2) Uani 1 1 d . . . . .
N4 N 0.7614(3) -0.3137(4) 1.1052(3) 0.085(2) Uani 1 1 d . . . . .
N5 N 0.7499(3) 0.0559(3) 0.8892(3) 0.0840(19) Uani 1 1 d . . . . .
N6 N 0.7655(3) 0.1120(4) 0.8535(3) 0.092(2) Uani 1 1 d . . . . .
N7 N 0.8679(3) -0.0016(3) 0.8730(2) 0.0465(15) Uani 1 1 d . . . . .
N8 N 0.8883(3) 0.0565(3) 0.8392(2) 0.0453(14) Uani 1 1 d . . . . .
N9 N 0.8038(3) 0.2873(3) 0.75157(18) 0.0368(12) Uani 1 1 d . . . . .
N10 N 0.6370(2) 0.4496(3) 0.73114(17) 0.0350(12) Uani 1 1 d . . . . .
N11 N 0.5698(3) 0.6882(3) 0.64681(19) 0.0379(12) Uani 1 1 d . . . . .
N12 N 0.5945(2) 0.7452(3) 0.6130(2) 0.0413(13) Uani 1 1 d . . . . .
N13 N 0.7116(3) 0.6794(3) 0.5994(2) 0.0573(16) Uani 1 1 d . . . . .
N14 N 0.6921(3) 0.6247(3) 0.6350(2) 0.0526(16) Uani 1 1 d . . . . .
N15 N 0.7726(3) 1.0524(3) 0.3929(2) 0.0487(15) Uani 1 1 d . . . . .
N16 N 0.7964(3) 1.1124(3) 0.3624(2) 0.0520(16) Uani 1 1 d . . . . .
N17 N 0.9257(3) 1.0601(3) 0.3657(2) 0.0472(15) Uani 1 1 d . . . . .
N18 N 0.8981(2) 0.9998(3) 0.39650(19) 0.0418(13) Uani 1 1 d . . . . .
N19 N 0.8600(3) 1.2874(3) 0.26920(19) 0.0409(13) Uani 1 1 d . . . . .
N20 N 0.6903(2) 1.4398(3) 0.22733(18) 0.0436(14) Uani 1 1 d . . . . .
O1 O 0.8058(2) 1.3519(3) 0.16279(14) 0.0487(12) Uani 1 1 d . . . . .
O2 O 0.6970(2) 1.2792(3) 0.23591(15) 0.0512(13) Uani 1 1 d . . . . .
O3 O 0.8542(2) 1.4478(3) 0.25998(15) 0.0468(12) Uani 1 1 d . . . . .
O4 O 0.7438(2) 1.3742(3) 0.33210(16) 0.0512(12) Uani 1 1 d . . . . .
O5 O 0.7445(3) 0.9162(4) 0.6053(2) 0.0858(19) Uani 1 1 d . . . . .
O6 O 0.8042(3) 1.0116(3) 0.5298(3) 0.089(2) Uani 1 1 d . . . . .
O7 O 0.6347(2) 0.9728(2) 0.52658(17) 0.0454(12) Uani 1 1 d . . . . .
O8 O 0.6455(2) 0.8649(3) 0.44849(18) 0.0553(13) Uani 1 1 d . . . . .
O9 O 0.8749(2) 0.8616(3) 0.54791(19) 0.0568(14) Uani 1 1 d . . . . .
O10 O 0.7939(2) 0.7838(3) 0.4666(2) 0.0705(16) Uani 1 1 d . . . . .
O11 O 0.8057(2) 0.4520(3) 0.74882(17) 0.0492(12) Uani 1 1 d . U . . .
O12 O 0.7074(2) 0.3702(2) 0.82342(18) 0.0540(13) Uani 1 1 d . . . . .
O13 O 0.6351(3) 0.2778(3) 0.73235(19) 0.0596(14) Uani 1 1 d . . . . .
O14 O 0.7276(2) 0.3612(2) 0.65671(17) 0.0527(13) Uani 1 1 d . . . . .
O15 O 0.6078(2) -0.1370(3) 0.95415(18) 0.0525(13) Uani 1 1 d . . . . .
O16 O 0.6934(3) -0.0548(3) 1.0295(2) 0.0678(16) Uani 1 1 d . . . . .
O17 O 0.8605(2) -0.1164(3) 1.0247(2) 0.0668(15) Uani 1 1 d . . . . .
O18 O 0.8521(2) -0.2364(2) 0.95755(19) 0.0480(12) Uani 1 1 d . . . . .
O19 O 0.6915(3) -0.2817(3) 0.9797(3) 0.0780(18) Uani 1 1 d . U . . .
O20 O 0.7233(3) -0.1972(4) 0.8873(2) 0.085(2) Uani 1 1 d . . . . .
O21 O 0.7299(3) -0.2011(3) 1.06560(19) 0.0718(16) Uani 1 1 d . . . . .
O22 O 0.7837(3) -0.0566(3) 0.9272(2) 0.0754(16) Uani 1 1 d . U . . .
O23 O 0.6815(2) 0.7908(3) 0.5539(2) 0.0649(14) Uani 1 1 d . . . . .
O24 O 0.7983(2) 0.9386(3) 0.4350(2) 0.0621(14) Uani 1 1 d . . . . .


_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
C1 F3 1.301(8) . ?
C1 F2 1.302(7) . ?
C1 F1 1.302(11) . ?
C1 C2 1.503(9) . ?
C2 O1 1.230(7) . ?
C2 C3 1.431(8) . ?
C3 C4 1.358(9) . ?
C4 O2 1.276(7) . ?
C4 C5 1.553(8) . ?
C5 F4 1.300(7) . ?
C5 F5 1.319(8) . ?
C5 F6 1.347(8) . ?
C6 F8 1.270(8) . ?
C6 F7 1.284(10) . ?
C6 F9 1.297(10) . ?
C6 C7 1.532(9) . ?
C7 O3 1.249(8) . ?
C7 C8 1.362(9) . ?
C8 C9 1.403(8) . ?
C9 O4 1.233(7) . ?
C9 C10 1.545(9) . ?
C10 F11 1.264(8) . ?
C10 F10 1.316(8) . ?
C10 F12 1.371(10) . ?
C11 F14 1.287(12) . ?
C11 F13 1.288(14) . ?
C11 F15 1.361(13) . ?
C11 C12 1.520(9) . ?
C12 O6 1.240(11) . ?
C12 C13 1.253(14) . ?
C13 C14 1.391(15) . ?
C14 O5 1.230(12) . ?
C14 C15 1.519(8) . ?
C15 F17 1.325(8) . ?
C15 F18 1.329(7) . ?
C15 F16 1.333(8) . ?
C16 F20 1.273(9) . ?
C16 F21 1.295(9) . ?
C16 F19 1.367(10) . ?
C16 C17 1.537(10) . ?
C17 O7 1.257(7) . ?
C17 C18 1.369(10) . ?
C18 C19 1.356(10) . ?
C19 O8 1.269(7) . ?
C19 C20 1.562(12) . ?
C20 F23 1.273(11) . ?
C20 F24 1.294(10) . ?
C20 F22 1.323(13) . ?
C21 F25 1.306(11) . ?
C21 F27 1.311(12) . ?
C21 F26 1.325(12) . ?
C21 C22 1.509(10) . ?
C22 O9 1.262(8) . ?
C22 C23 1.351(11) . ?
C23 C24 1.391(10) . ?
C24 O10 1.250(9) . ?
C24 C25 1.585(13) . ?
C25 F29 1.187(11) . ?
C25 F30 1.287(12) . ?
C25 F28 1.393(12) . ?
C26 F31 1.306(10) . ?
C26 F33 1.312(10) . ?
C26 F32 1.352(10) . ?
C26 C27 1.503(11) . ?
C27 O11 1.227(8) . ?
C27 C28 1.407(10) . ?
C28 C29 1.402(10) . ?
C29 O12 1.266(8) . ?
C29 C30 1.531(11) . ?
C30 F36 1.290(10) . ?
C30 F34 1.326(11) . ?
C30 F35 1.347(11) . ?
C31 F37 1.293(8) . ?
C31 F38 1.327(10) . ?
C31 F39 1.351(10) . ?
C31 C32 1.514(10) . ?
C32 O14 1.228(8) . ?
C32 C33 1.396(10) . ?
C33 C34 1.391(10) . ?
C34 O13 1.213(9) . ?
C34 C35 1.550(12) . ?
C35 F42 1.187(12) . ?
C35 F40 1.223(11) . ?
C35 F41 1.448(12) . ?
C36 F45 1.191(13) . ?
C36 F44 1.252(15) . ?
C36 F43 1.344(14) . ?
C36 C37 1.602(14) . ?
C37 O16 1.290(9) . ?
C37 C38 1.309(10) . ?
C38 C39 1.365(10) . ?
C39 O15 1.230(7) . ?
C39 C40 1.538(9) . ?
C40 F47 1.235(10) . ?
C40 F48 1.298(10) . ?
C40 F46 1.315(10) . ?
C41 F51 1.284(11) . ?
C41 F50 1.289(9) . ?
C41 F49 1.362(9) . ?
C41 C42 1.565(10) . ?
C42 O18 1.282(7) . ?
C42 C43 1.319(10) . ?
C43 C44 1.380(11) . ?
C44 O17 1.246(7) . ?
C44 C45 1.540(9) . ?
C45 F52 1.299(7) . ?
C45 F53' 1.312(8) . ?
C45 F53 1.313(6) . ?
C45 F54 1.322(7) . ?
C45 F54' 1.324(7) . ?
C45 F52' 1.344(7) . ?
C46 F55 1.312(7) . ?
C46 F56 1.324(7) . ?
C46 F57 1.337(7) . ?
C46 C47 1.531(8) . ?
C47 O19 1.190(9) . ?
C47 C48 1.321(14) . ?
C48 C49 1.434(16) . ?
C49 O20 1.376(13) . ?
C49 C50 1.519(8) . ?
C50 F59 1.330(8) . ?
C50 F60 1.333(8) . ?
C50 F58 1.338(8) . ?
C51 O21 1.288(9) . ?
C51 N4 1.309(9) . ?
C51 N1 1.345(8) . ?
C52 N2 1.319(9) . ?
C52 N3 1.339(8) . ?
C52 C99 1.444(10) 1_536 ?
C53 C54 1.522(11) . ?
C54 C55 1.506(13) . ?
C54 N1 1.517(9) . ?
C56 C57 1.646(15) . ?
C57 C58 1.390(13) . ?
C57 N4 1.513(10) . ?
C59 C60 1.595(12) . ?
C60 C61 1.454(10) . ?
C60 N7 1.481(8) . ?
C62 O22 1.244(9) . ?
C62 N7 1.292(8) . ?
C62 N5 1.380(8) . ?
C63 C64 1.583(14) . ?
C64 C65 1.460(11) . ?
C64 N5 1.468(10) . ?
C66 N6 1.294(8) . ?
C66 N8 1.316(7) . ?
C66 C68 1.492(8) . ?
C67 N9 1.367(7) . ?
C67 C68 1.378(8) . ?
C68 C69 1.364(8) . ?
C69 C70 1.426(9) . ?
C70 C71 1.311(9) . ?
C71 N9 1.343(7) . ?
C72 N10 1.330(7) . ?
C72 C73 1.384(8) . ?
C73 C74 1.376(9) . ?
C74 C75 1.369(8) . ?
C75 C76 1.383(7) . ?
C75 C77 1.476(8) . ?
C76 N10 1.348(7) . ?
C77 N14 1.324(7) . ?
C77 N11 1.327(7) . ?
C78 C79 1.494(10) . ?
C79 N13 1.479(8) . ?
C79 C80 1.526(11) . ?
C81 C82 1.465(10) . ?
C82 C83 1.477(10) . ?
C82 N12 1.479(7) . ?
C84 O23 1.242(8) . ?
C84 N13 1.375(8) . ?
C84 N12 1.381(7) . ?
C85 O24 1.224(8) . ?
C85 N18 1.343(7) . ?
C85 N15 1.392(8) . ?
C86 C87 1.463(11) . ?
C87 N18 1.493(8) . ?
C87 C88 1.516(12) . ?
C89 C90 1.392(14) . ?
C90 N15 1.428(8) . ?
C90 C91 1.556(16) . ?
C92 N17 1.313(8) . ?
C92 N16 1.323(7) . ?
C92 C94 1.478(9) . ?
C93 N19 1.347(8) . ?
C93 C94 1.380(8) . ?
C94 C95 1.376(8) . ?
C95 C96 1.369(10) . ?
C96 C97 1.391(10) . ?
C97 N19 1.326(7) . ?
C98 N20 1.310(8) . ?
C98 C99 1.402(9) . ?
C99 C100 1.397(9) . ?
C99 C52 1.444(10) 1_574 ?
C100 C101 1.369(11) . ?
C101 C102 1.352(10) . ?
C102 N20 1.346(7) . ?
C103 C104 1.36(3) . ?
C104 C105 1.61(3) . ?
C105 C106 1.38(2) . ?
C106 C107 1.523(9) . ?
C107 C108 1.529(10) . ?
C108 C109 1.532(9) . ?
Cu1 N10 2.004(5) . ?
Cu1 N9 2.015(4) . ?
Cu1 O11 2.101(4) . ?
Cu1 O13 2.103(5) . ?
Cu1 O12 2.104(5) . ?
Cu1 O14 2.115(4) . ?
Cu2 O2 1.993(4) . ?
Cu2 O3 2.002(4) . ?
Cu2 N20 2.008(5) . ?
Cu2 N19 2.008(5) . ?
Cu2 O4 2.220(4) . ?
Cu2 O1 2.227(4) . ?
Gd1 O22 2.317(5) . ?
Gd1 O19 2.333(5) . ?
Gd1 O21 2.338(5) . ?
Gd1 O17 2.355(4) . ?
Gd1 O18 2.364(4) . ?
Gd1 O15 2.374(3) . ?
Gd1 O20 2.391(5) . ?
Gd1 O16 2.404(5) . ?
Gd2 O5 2.321(5) . ?
Gd2 O6 2.326(5) . ?
Gd2 O23 2.338(4) . ?
Gd2 O9 2.351(4) . ?
Gd2 O24 2.361(5) . ?
Gd2 O8 2.363(4) . ?
Gd2 O7 2.384(4) . ?
Gd2 O10 2.411(5) . ?
N1 N2 1.388(8) . ?
N3 N4 1.399(9) . ?
N5 N6 1.366(9) . ?
N7 N8 1.381(7) . ?
N11 N12 1.389(6) . ?
N13 N14 1.360(7) . ?
N15 N16 1.372(8) . ?
N17 N18 1.403(7) . ?

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
F3 C1 F2 109.4(6) . . ?
F3 C1 F1 105.9(6) . . ?
F2 C1 F1 103.2(7) . . ?
F3 C1 C2 116.0(6) . . ?
F2 C1 C2 111.1(5) . . ?
F1 C1 C2 110.4(6) . . ?
O1 C2 C3 127.4(5) . . ?
O1 C2 C1 115.2(5) . . ?
C3 C2 C1 117.4(5) . . ?
C4 C3 C2 123.7(5) . . ?
O2 C4 C3 131.4(5) . . ?
O2 C4 C5 109.4(5) . . ?
C3 C4 C5 119.2(5) . . ?
F4 C5 F5 109.0(6) . . ?
F4 C5 F6 106.6(5) . . ?
F5 C5 F6 107.2(5) . . ?
F4 C5 C4 112.1(5) . . ?
F5 C5 C4 110.4(5) . . ?
F6 C5 C4 111.4(5) . . ?
F8 C6 F7 104.9(6) . . ?
F8 C6 F9 106.8(7) . . ?
F7 C6 F9 106.7(7) . . ?
F8 C6 C7 112.3(6) . . ?
F7 C6 C7 114.6(7) . . ?
F9 C6 C7 110.9(6) . . ?
O3 C7 C8 130.6(6) . . ?
O3 C7 C6 111.8(6) . . ?
C8 C7 C6 117.7(6) . . ?
C7 C8 C9 125.2(6) . . ?
O4 C9 C8 127.6(5) . . ?
O4 C9 C10 113.2(5) . . ?
C8 C9 C10 119.2(5) . . ?
F11 C10 F10 110.0(7) . . ?
F11 C10 F12 107.4(6) . . ?
F10 C10 F12 104.6(6) . . ?
F11 C10 C9 112.0(6) . . ?
F10 C10 C9 114.1(6) . . ?
F12 C10 C9 108.2(6) . . ?
F14 C11 F13 105.8(9) . . ?
F14 C11 F15 98.4(9) . . ?
F13 C11 F15 114.2(8) . . ?
F14 C11 C12 113.4(7) . . ?
F13 C11 C12 108.8(10) . . ?
F15 C11 C12 115.6(8) . . ?
O6 C12 C13 123.2(8) . . ?
O6 C12 C11 111.9(9) . . ?
C13 C12 C11 124.9(9) . . ?
C12 C13 C14 128.6(9) . . ?
O5 C14 C13 125.6(8) . . ?
O5 C14 C15 112.3(8) . . ?
C13 C14 C15 122.1(9) . . ?
F17 C15 F18 106.8(6) . . ?
F17 C15 F16 107.1(6) . . ?
F18 C15 F16 106.6(6) . . ?
F17 C15 C14 112.5(7) . . ?
F18 C15 C14 112.6(7) . . ?
F16 C15 C14 110.8(8) . . ?
F20 C16 F21 107.9(7) . . ?
F20 C16 F19 107.1(7) . . ?
F21 C16 F19 103.8(7) . . ?
F20 C16 C17 115.8(7) . . ?
F21 C16 C17 112.3(6) . . ?
F19 C16 C17 109.1(6) . . ?
O7 C17 C18 128.0(6) . . ?
O7 C17 C16 114.6(6) . . ?
C18 C17 C16 117.4(6) . . ?
C19 C18 C17 120.5(6) . . ?
O8 C19 C18 128.3(7) . . ?
O8 C19 C20 112.3(7) . . ?
C18 C19 C20 119.4(6) . . ?
F23 C20 F24 104.7(8) . . ?
F23 C20 F22 111.2(10) . . ?
F24 C20 F22 108.8(7) . . ?
F23 C20 C19 111.1(7) . . ?
F24 C20 C19 112.8(8) . . ?
F22 C20 C19 108.2(8) . . ?
F25 C21 F27 105.1(9) . . ?
F25 C21 F26 101.2(8) . . ?
F27 C21 F26 110.3(7) . . ?
F25 C21 C22 113.5(7) . . ?
F27 C21 C22 111.4(8) . . ?
F26 C21 C22 114.6(8) . . ?
O9 C22 C23 128.0(6) . . ?
O9 C22 C21 114.0(7) . . ?
C23 C22 C21 118.0(7) . . ?
C22 C23 C24 122.6(7) . . ?
O10 C24 C23 125.6(8) . . ?
O10 C24 C25 115.0(7) . . ?
C23 C24 C25 119.4(7) . . ?
F29 C25 F30 116.8(10) . . ?
F29 C25 F28 105.3(9) . . ?
F30 C25 F28 108.1(8) . . ?
F29 C25 C24 110.6(8) . . ?
F30 C25 C24 110.4(8) . . ?
F28 C25 C24 104.8(8) . . ?
F31 C26 F33 108.6(8) . . ?
F31 C26 F32 101.8(7) . . ?
F33 C26 F32 102.8(7) . . ?
F31 C26 C27 116.9(8) . . ?
F33 C26 C27 114.7(7) . . ?
F32 C26 C27 110.4(7) . . ?
O11 C27 C28 128.7(6) . . ?
O11 C27 C26 113.5(6) . . ?
C28 C27 C26 117.8(7) . . ?
C29 C28 C27 124.4(7) . . ?
O12 C29 C28 127.9(6) . . ?
O12 C29 C30 112.1(6) . . ?
C28 C29 C30 119.8(7) . . ?
F36 C30 F34 111.4(8) . . ?
F36 C30 F35 108.9(7) . . ?
F34 C30 F35 105.5(8) . . ?
F36 C30 C29 111.7(7) . . ?
F34 C30 C29 108.2(7) . . ?
F35 C30 C29 110.9(7) . . ?
F37 C31 F38 106.0(7) . . ?
F37 C31 F39 106.3(7) . . ?
F38 C31 F39 104.0(6) . . ?
F37 C31 C32 115.3(6) . . ?
F38 C31 C32 114.7(7) . . ?
F39 C31 C32 109.7(6) . . ?
O14 C32 C33 129.8(6) . . ?
O14 C32 C31 111.2(6) . . ?
C33 C32 C31 118.9(6) . . ?
C34 C33 C32 122.6(7) . . ?
O13 C34 C33 129.2(7) . . ?
O13 C34 C35 115.4(7) . . ?
C33 C34 C35 115.4(7) . . ?
F42 C35 F40 114.4(10) . . ?
F42 C35 F41 102.6(8) . . ?
F40 C35 F41 101.3(9) . . ?
F42 C35 C34 119.3(9) . . ?
F40 C35 C34 113.4(8) . . ?
F41 C35 C34 102.4(8) . . ?
F45 C36 F44 115.5(12) . . ?
F45 C36 F43 99.9(10) . . ?
F44 C36 F43 107.2(11) . . ?
F45 C36 C37 114.8(10) . . ?
F44 C36 C37 112.3(10) . . ?
F43 C36 C37 105.5(9) . . ?
O16 C37 C38 130.1(8) . . ?
O16 C37 C36 108.8(7) . . ?
C38 C37 C36 121.0(8) . . ?
C37 C38 C39 120.8(7) . . ?
O15 C39 C38 127.5(6) . . ?
O15 C39 C40 115.3(6) . . ?
C38 C39 C40 117.0(6) . . ?
F47 C40 F48 106.4(7) . . ?
F47 C40 F46 110.2(7) . . ?
F48 C40 F46 103.1(8) . . ?
F47 C40 C39 115.4(7) . . ?
F48 C40 C39 109.8(6) . . ?
F46 C40 C39 111.1(6) . . ?
F51 C41 F50 109.4(7) . . ?
F51 C41 F49 105.1(7) . . ?
F50 C41 F49 106.8(6) . . ?
F51 C41 C42 111.2(7) . . ?
F50 C41 C42 113.0(7) . . ?
F49 C41 C42 111.1(6) . . ?
O18 C42 C43 128.2(6) . . ?
O18 C42 C41 113.3(6) . . ?
C43 C42 C41 118.5(6) . . ?
C42 C43 C44 122.3(6) . . ?
O17 C44 C43 124.5(7) . . ?
O17 C44 C45 115.7(7) . . ?
C43 C44 C45 119.8(6) . . ?
F52 C45 F53 110.9(6) . . ?
F52 C45 F54 110.6(6) . . ?
F53 C45 F54 106.8(6) . . ?
F53' C45 F54' 108.2(6) . . ?
F53' C45 F52' 108.1(6) . . ?
F54' C45 F52' 105.0(6) . . ?
F52 C45 C44 103.7(6) . . ?
F53' C45 C44 108.7(6) . . ?
F53 C45 C44 111.7(6) . . ?
F54 C45 C44 113.1(6) . . ?
F54' C45 C44 117.5(6) . . ?
F52' C45 C44 108.9(6) . . ?
F55 C46 F56 109.4(6) . . ?
F55 C46 F57 106.7(6) . . ?
F56 C46 F57 105.8(6) . . ?
F55 C46 C47 114.9(6) . . ?
F56 C46 C47 110.7(6) . . ?
F57 C46 C47 108.7(6) . . ?
O19 C47 C48 130.5(8) . . ?
O19 C47 C46 115.0(7) . . ?
C48 C47 C46 114.4(8) . . ?
C47 C48 C49 121.1(10) . . ?
O20 C49 C48 127.3(7) . . ?
O20 C49 C50 100.5(8) . . ?
C48 C49 C50 132.2(10) . . ?
F59 C50 F60 106.7(6) . . ?
F59 C50 F58 105.1(6) . . ?
F60 C50 F58 105.0(6) . . ?
F59 C50 C49 103.0(8) . . ?
F60 C50 C49 123.4(8) . . ?
F58 C50 C49 112.3(7) . . ?
O21 C51 N4 121.0(6) . . ?
O21 C51 N1 121.2(7) . . ?
N4 C51 N1 117.6(7) . . ?
N2 C52 N3 125.8(7) . . ?
N2 C52 C99 116.6(5) . 1_536 ?
N3 C52 C99 117.6(6) . 1_536 ?
C55 C54 N1 111.4(7) . . ?
C55 C54 C53 113.6(7) . . ?
N1 C54 C53 107.4(6) . . ?
C58 C57 N4 108.7(8) . . ?
C58 C57 C56 110.5(9) . . ?
N4 C57 C56 110.2(8) . . ?
C61 C60 N7 114.6(6) . . ?
C61 C60 C59 107.4(7) . . ?
N7 C60 C59 104.5(6) . . ?
O22 C62 N7 123.7(6) . . ?
O22 C62 N5 118.0(6) . . ?
N7 C62 N5 117.8(6) . . ?
C65 C64 N5 111.2(7) . . ?
C65 C64 C63 109.9(7) . . ?
N5 C64 C63 112.0(7) . . ?
N6 C66 N8 126.8(6) . . ?
N6 C66 C68 116.1(5) . . ?
N8 C66 C68 117.0(5) . . ?
N9 C67 C68 121.1(5) . . ?
C69 C68 C67 121.5(6) . . ?
C69 C68 C66 120.8(5) . . ?
C67 C68 C66 117.7(5) . . ?
C68 C69 C70 116.3(6) . . ?
C71 C70 C69 119.1(6) . . ?
C70 C71 N9 125.9(6) . . ?
N10 C72 C73 122.0(6) . . ?
C74 C73 C72 119.3(6) . . ?
C75 C74 C73 119.3(5) . . ?
C74 C75 C76 118.5(5) . . ?
C74 C75 C77 122.5(5) . . ?
C76 C75 C77 119.0(5) . . ?
N10 C76 C75 122.7(5) . . ?
N14 C77 N11 127.7(5) . . ?
N14 C77 C75 114.4(5) . . ?
N11 C77 C75 117.9(5) . . ?
N13 C79 C78 109.0(7) . . ?
N13 C79 C80 109.5(6) . . ?
C78 C79 C80 113.2(6) . . ?
C81 C82 C83 114.1(6) . . ?
C81 C82 N12 108.2(6) . . ?
C83 C82 N12 109.8(6) . . ?
O23 C84 N13 123.5(6) . . ?
O23 C84 N12 121.0(5) . . ?
N13 C84 N12 115.3(5) . . ?
O24 C85 N18 123.0(5) . . ?
O24 C85 N15 121.8(5) . . ?
N18 C85 N15 115.1(5) . . ?
C86 C87 N18 110.3(6) . . ?
C86 C87 C88 112.2(7) . . ?
N18 C87 C88 108.4(6) . . ?
C89 C90 N15 113.8(8) . . ?
C89 C90 C91 110.9(9) . . ?
N15 C90 C91 109.3(8) . . ?
N17 C92 N16 127.7(6) . . ?
N17 C92 C94 117.0(5) . . ?
N16 C92 C94 115.2(5) . . ?
N19 C93 C94 121.9(5) . . ?
C95 C94 C93 118.8(6) . . ?
C95 C94 C92 123.1(6) . . ?
C93 C94 C92 118.0(5) . . ?
C96 C95 C94 119.4(6) . . ?
C95 C96 C97 119.1(6) . . ?
N19 C97 C96 121.7(6) . . ?
N20 C98 C99 123.9(5) . . ?
C100 C99 C98 117.1(6) . . ?
C100 C99 C52 123.3(6) . 1_574 ?
C98 C99 C52 119.6(5) . 1_574 ?
C101 C100 C99 117.7(7) . . ?
C102 C101 C100 121.6(6) . . ?
N20 C102 C101 121.4(7) . . ?
C103 C104 C105 103(2) . . ?
C106 C105 C104 104.9(16) . . ?
C105 C106 C107 113.9(13) . . ?
C106 C107 C108 126.4(10) . . ?
C107 C108 C109 137.7(11) . . ?
N10 Cu1 N9 177.14(19) . . ?
N10 Cu1 O11 88.41(17) . . ?
N9 Cu1 O11 88.98(17) . . ?
N10 Cu1 O13 94.26(18) . . ?
N9 Cu1 O13 88.35(18) . . ?
O11 Cu1 O13 177.33(17) . . ?
N10 Cu1 O12 89.96(17) . . ?
N9 Cu1 O12 88.81(17) . . ?
O11 Cu1 O12 88.66(17) . . ?
O13 Cu1 O12 91.32(17) . . ?
N10 Cu1 O14 90.25(17) . . ?
N9 Cu1 O14 91.03(17) . . ?
O11 Cu1 O14 92.71(17) . . ?
O13 Cu1 O14 87.31(17) . . ?
O12 Cu1 O14 178.62(17) . . ?
O2 Cu2 O3 179.58(17) . . ?
O2 Cu2 N20 89.72(19) . . ?
O3 Cu2 N20 90.53(19) . . ?
O2 Cu2 N19 90.38(19) . . ?
O3 Cu2 N19 89.37(18) . . ?
N20 Cu2 N19 179.10(19) . . ?
O2 Cu2 O4 90.80(16) . . ?
O3 Cu2 O4 88.87(16) . . ?
N20 Cu2 O4 89.03(17) . . ?
N19 Cu2 O4 90.08(18) . . ?
O2 Cu2 O1 88.60(16) . . ?
O3 Cu2 O1 91.73(16) . . ?
N20 Cu2 O1 90.83(17) . . ?
N19 Cu2 O1 90.06(18) . . ?
O4 Cu2 O1 179.39(15) . . ?
O22 Gd1 O19 147.3(2) . . ?
O22 Gd1 O21 144.1(2) . . ?
O19 Gd1 O21 68.5(2) . . ?
O22 Gd1 O17 76.89(18) . . ?
O19 Gd1 O17 126.08(18) . . ?
O21 Gd1 O17 75.96(18) . . ?
O22 Gd1 O18 94.11(16) . . ?
O19 Gd1 O18 76.50(15) . . ?
O21 Gd1 O18 97.90(17) . . ?
O17 Gd1 O18 69.59(15) . . ?
O22 Gd1 O15 92.45(15) . . ?
O19 Gd1 O15 77.78(16) . . ?
O21 Gd1 O15 98.53(16) . . ?
O17 Gd1 O15 148.32(16) . . ?
O18 Gd1 O15 141.69(15) . . ?
O22 Gd1 O20 73.9(2) . . ?
O19 Gd1 O20 73.5(2) . . ?
O21 Gd1 O20 142.0(2) . . ?
O17 Gd1 O20 129.58(17) . . ?
O18 Gd1 O20 72.57(16) . . ?
O15 Gd1 O20 73.17(16) . . ?
O22 Gd1 O16 80.57(19) . . ?
O19 Gd1 O16 123.07(18) . . ?
O21 Gd1 O16 71.66(19) . . ?
O17 Gd1 O16 79.05(16) . . ?
O18 Gd1 O16 148.57(15) . . ?
O15 Gd1 O16 69.73(16) . . ?
O20 Gd1 O16 133.43(19) . . ?
O5 Gd2 O6 72.8(2) . . ?
O5 Gd2 O23 71.9(2) . . ?
O6 Gd2 O23 144.5(2) . . ?
O5 Gd2 O9 75.43(17) . . ?
O6 Gd2 O9 77.02(16) . . ?
O23 Gd2 O9 96.72(15) . . ?
O5 Gd2 O24 142.54(19) . . ?
O6 Gd2 O24 70.3(2) . . ?
O23 Gd2 O24 145.15(17) . . ?
O9 Gd2 O24 90.27(15) . . ?
O5 Gd2 O8 132.80(17) . . ?
O6 Gd2 O8 125.49(18) . . ?
O23 Gd2 O8 78.73(16) . . ?
O9 Gd2 O8 145.33(16) . . ?
O24 Gd2 O8 76.34(15) . . ?
O5 Gd2 O7 73.64(16) . . ?
O6 Gd2 O7 77.19(15) . . ?
O23 Gd2 O7 90.23(15) . . ?
O9 Gd2 O7 144.31(15) . . ?
O24 Gd2 O7 103.70(15) . . ?
O8 Gd2 O7 70.36(14) . . ?
O5 Gd2 O10 130.70(19) . . ?
O6 Gd2 O10 130.04(18) . . ?
O23 Gd2 O10 77.53(17) . . ?
O9 Gd2 O10 70.81(16) . . ?
O24 Gd2 O10 72.68(18) . . ?
O8 Gd2 O10 74.67(15) . . ?
O7 Gd2 O10 144.60(15) . . ?
C51 N1 N2 122.4(6) . . ?
C51 N1 C54 121.7(6) . . ?
N2 N1 C54 115.8(5) . . ?
C52 N2 N1 115.8(5) . . ?
C52 N3 N4 114.5(6) . . ?
C51 N4 N3 123.8(5) . . ?
C51 N4 C57 124.9(7) . . ?
N3 N4 C57 111.1(6) . . ?
N6 N5 C62 119.6(6) . . ?
N6 N5 C64 114.7(6) . . ?
C62 N5 C64 125.7(7) . . ?
C66 N6 N5 117.1(6) . . ?
C62 N7 N8 124.0(5) . . ?
C62 N7 C60 121.0(5) . . ?
N8 N7 C60 114.9(5) . . ?
C66 N8 N7 114.1(5) . . ?
C71 N9 C67 116.0(5) . . ?
C71 N9 Cu1 124.2(4) . . ?
C67 N9 Cu1 119.7(4) . . ?
C72 N10 C76 118.2(5) . . ?
C72 N10 Cu1 123.1(4) . . ?
C76 N10 Cu1 118.6(3) . . ?
C77 N11 N12 114.3(4) . . ?
C84 N12 N11 123.3(5) . . ?
C84 N12 C82 120.3(5) . . ?
N11 N12 C82 116.2(4) . . ?
N14 N13 C84 123.4(5) . . ?
N14 N13 C79 114.8(5) . . ?
C84 N13 C79 121.8(6) . . ?
C77 N14 N13 115.8(5) . . ?
N16 N15 C85 123.6(5) . . ?
N16 N15 C90 115.1(6) . . ?
C85 N15 C90 121.0(6) . . ?
C92 N16 N15 114.9(5) . . ?
C92 N17 N18 115.0(5) . . ?
C85 N18 N17 123.5(5) . . ?
C85 N18 C87 121.6(5) . . ?
N17 N18 C87 114.8(4) . . ?
C97 N19 C93 119.1(5) . . ?
C97 N19 Cu2 121.4(4) . . ?
C93 N19 Cu2 119.3(4) . . ?
C98 N20 C102 118.3(6) . . ?
C98 N20 Cu2 121.8(4) . . ?
C102 N20 Cu2 119.8(5) . . ?
C2 O1 Cu2 121.4(3) . . ?
C4 O2 Cu2 123.9(4) . . ?
C7 O3 Cu2 125.4(4) . . ?
C9 O4 Cu2 121.9(4) . . ?
C14 O5 Gd2 132.7(6) . . ?
C12 O6 Gd2 136.7(6) . . ?
C17 O7 Gd2 136.3(4) . . ?
C19 O8 Gd2 136.5(5) . . ?
C22 O9 Gd2 136.1(4) . . ?
C24 O10 Gd2 135.7(5) . . ?
C27 O11 Cu1 125.5(4) . . ?
C29 O12 Cu1 124.6(4) . . ?
C34 O13 Cu1 123.7(5) . . ?
C32 O14 Cu1 123.2(4) . . ?
C39 O15 Gd1 138.1(4) . . ?
C37 O16 Gd1 133.4(5) . . ?
C44 O17 Gd1 139.6(5) . . ?
C42 O18 Gd1 135.9(4) . . ?
C47 O19 Gd1 138.2(6) . . ?
C49 O20 Gd1 129.4(5) . . ?
C51 O21 Gd1 141.4(5) . . ?
C62 O22 Gd1 173.8(5) . . ?
C84 O23 Gd2 159.5(4) . . ?
C85 O24 Gd2 148.9(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
F3 C1 C2 O1 175.6(6) . . . . ?
F2 C1 C2 O1 49.9(9) . . . . ?
F1 C1 C2 O1 -63.9(7) . . . . ?
F3 C1 C2 C3 -4.4(9) . . . . ?
F2 C1 C2 C3 -130.1(7) . . . . ?
F1 C1 C2 C3 116.0(7) . . . . ?
O1 C2 C3 C4 2.8(10) . . . . ?
C1 C2 C3 C4 -177.2(6) . . . . ?
C2 C3 C4 O2 -2.6(11) . . . . ?
C2 C3 C4 C5 178.3(5) . . . . ?
O2 C4 C5 F4 52.6(7) . . . . ?
C3 C4 C5 F4 -128.2(6) . . . . ?
O2 C4 C5 F5 -69.1(7) . . . . ?
C3 C4 C5 F5 110.1(7) . . . . ?
O2 C4 C5 F6 171.9(5) . . . . ?
C3 C4 C5 F6 -8.9(8) . . . . ?
F8 C6 C7 O3 -51.1(8) . . . . ?
F7 C6 C7 O3 -170.7(6) . . . . ?
F9 C6 C7 O3 68.4(8) . . . . ?
F8 C6 C7 C8 129.7(7) . . . . ?
F7 C6 C7 C8 10.0(10) . . . . ?
F9 C6 C7 C8 -110.8(8) . . . . ?
O3 C7 C8 C9 1.9(12) . . . . ?
C6 C7 C8 C9 -179.0(6) . . . . ?
C7 C8 C9 O4 1.9(11) . . . . ?
C7 C8 C9 C10 -178.8(7) . . . . ?
O4 C9 C10 F11 -66.1(9) . . . . ?
C8 C9 C10 F11 114.5(7) . . . . ?
O4 C9 C10 F10 168.1(6) . . . . ?
C8 C9 C10 F10 -11.4(10) . . . . ?
O4 C9 C10 F12 52.1(7) . . . . ?
C8 C9 C10 F12 -127.3(6) . . . . ?
F14 C11 C12 O6 -70.2(11) . . . . ?
F13 C11 C12 O6 172.4(8) . . . . ?
F15 C11 C12 O6 42.3(11) . . . . ?
F14 C11 C12 C13 107.8(12) . . . . ?
F13 C11 C12 C13 -9.6(13) . . . . ?
F15 C11 C12 C13 -139.7(10) . . . . ?
O6 C12 C13 C14 5.2(16) . . . . ?
C11 C12 C13 C14 -172.6(9) . . . . ?
C12 C13 C14 O5 -5.8(18) . . . . ?
C12 C13 C14 C15 177.4(9) . . . . ?
O5 C14 C15 F17 67.2(10) . . . . ?
C13 C14 C15 F17 -115.6(10) . . . . ?
O5 C14 C15 F18 -53.6(11) . . . . ?
C13 C14 C15 F18 123.6(9) . . . . ?
O5 C14 C15 F16 -172.9(8) . . . . ?
C13 C14 C15 F16 4.3(12) . . . . ?
F20 C16 C17 O7 167.9(7) . . . . ?
F21 C16 C17 O7 43.3(9) . . . . ?
F19 C16 C17 O7 -71.2(8) . . . . ?
F20 C16 C17 C18 -12.1(10) . . . . ?
F21 C16 C17 C18 -136.6(7) . . . . ?
F19 C16 C17 C18 108.8(7) . . . . ?
O7 C17 C18 C19 1.3(12) . . . . ?
C16 C17 C18 C19 -178.8(7) . . . . ?
C17 C18 C19 O8 -1.1(12) . . . . ?
C17 C18 C19 C20 178.6(7) . . . . ?
O8 C19 C20 F23 -49.8(11) . . . . ?
C18 C19 C20 F23 130.4(9) . . . . ?
O8 C19 C20 F24 -167.0(7) . . . . ?
C18 C19 C20 F24 13.2(12) . . . . ?
O8 C19 C20 F22 72.5(9) . . . . ?
C18 C19 C20 F22 -107.2(9) . . . . ?
F25 C21 C22 O9 44.2(11) . . . . ?
F27 C21 C22 O9 -74.1(10) . . . . ?
F26 C21 C22 O9 159.9(8) . . . . ?
F25 C21 C22 C23 -134.8(9) . . . . ?
F27 C21 C22 C23 106.9(9) . . . . ?
F26 C21 C22 C23 -19.2(12) . . . . ?
O9 C22 C23 C24 -1.0(13) . . . . ?
C21 C22 C23 C24 177.8(8) . . . . ?
C22 C23 C24 O10 -0.9(14) . . . . ?
C22 C23 C24 C25 176.4(8) . . . . ?
O10 C24 C25 F29 -21.5(12) . . . . ?
C23 C24 C25 F29 160.8(9) . . . . ?
O10 C24 C25 F30 109.3(9) . . . . ?
C23 C24 C25 F30 -68.3(11) . . . . ?
O10 C24 C25 F28 -134.5(8) . . . . ?
C23 C24 C25 F28 47.9(11) . . . . ?
F31 C26 C27 O11 -171.1(7) . . . . ?
F33 C26 C27 O11 60.1(9) . . . . ?
F32 C26 C27 O11 -55.4(9) . . . . ?
F31 C26 C27 C28 9.3(11) . . . . ?
F33 C26 C27 C28 -119.6(8) . . . . ?
F32 C26 C27 C28 125.0(8) . . . . ?
O11 C27 C28 C29 -2.8(12) . . . . ?
C26 C27 C28 C29 176.8(7) . . . . ?
C27 C28 C29 O12 -0.6(12) . . . . ?
C27 C28 C29 C30 173.2(7) . . . . ?
O12 C29 C30 F36 -47.6(10) . . . . ?
C28 C29 C30 F36 137.7(8) . . . . ?
O12 C29 C30 F34 75.4(8) . . . . ?
C28 C29 C30 F34 -99.3(9) . . . . ?
O12 C29 C30 F35 -169.3(6) . . . . ?
C28 C29 C30 F35 16.0(11) . . . . ?
F37 C31 C32 O14 52.8(9) . . . . ?
F38 C31 C32 O14 176.3(6) . . . . ?
F39 C31 C32 O14 -67.2(7) . . . . ?
F37 C31 C32 C33 -126.9(8) . . . . ?
F38 C31 C32 C33 -3.4(10) . . . . ?
F39 C31 C32 C33 113.2(8) . . . . ?
O14 C32 C33 C34 9.7(11) . . . . ?
C31 C32 C33 C34 -170.7(6) . . . . ?
C32 C33 C34 O13 -1.0(12) . . . . ?
C32 C33 C34 C35 179.4(7) . . . . ?
O13 C34 C35 F42 171.8(9) . . . . ?
C33 C34 C35 F42 -8.5(12) . . . . ?
O13 C34 C35 F40 -48.9(11) . . . . ?
C33 C34 C35 F40 130.9(9) . . . . ?
O13 C34 C35 F41 59.4(9) . . . . ?
C33 C34 C35 F41 -120.9(8) . . . . ?
F45 C36 C37 O16 54.5(12) . . . . ?
F44 C36 C37 O16 -80.0(11) . . . . ?
F43 C36 C37 O16 163.5(9) . . . . ?
F45 C36 C37 C38 -129.5(11) . . . . ?
F44 C36 C37 C38 95.9(12) . . . . ?
F43 C36 C37 C38 -20.5(14) . . . . ?
O16 C37 C38 C39 0.2(15) . . . . ?
C36 C37 C38 C39 -174.9(8) . . . . ?
C37 C38 C39 O15 4.6(13) . . . . ?
C37 C38 C39 C40 179.1(8) . . . . ?
O15 C39 C40 F47 -177.3(7) . . . . ?
C38 C39 C40 F47 7.5(11) . . . . ?
O15 C39 C40 F48 -57.0(9) . . . . ?
C38 C39 C40 F48 127.8(8) . . . . ?
O15 C39 C40 F46 56.4(9) . . . . ?
C38 C39 C40 F46 -118.9(8) . . . . ?
F51 C41 C42 O18 80.1(8) . . . . ?
F50 C41 C42 O18 -156.5(7) . . . . ?
F49 C41 C42 O18 -36.6(9) . . . . ?
F51 C41 C42 C43 -97.3(9) . . . . ?
F50 C41 C42 C43 26.1(10) . . . . ?
F49 C41 C42 C43 146.0(7) . . . . ?
O18 C42 C43 C44 0.3(13) . . . . ?
C41 C42 C43 C44 177.2(7) . . . . ?
C42 C43 C44 O17 1.0(13) . . . . ?
C42 C43 C44 C45 -179.0(7) . . . . ?
O17 C44 C45 F52 92.7(8) . . . . ?
C43 C44 C45 F52 -87.3(8) . . . . ?
O17 C44 C45 F53' -89.6(8) . . . . ?
C43 C44 C45 F53' 90.4(9) . . . . ?
O17 C44 C45 F53 -147.8(7) . . . . ?
C43 C44 C45 F53 32.2(9) . . . . ?
O17 C44 C45 F54 -27.2(9) . . . . ?
C43 C44 C45 F54 152.8(8) . . . . ?
O17 C44 C45 F54' 33.7(10) . . . . ?
C43 C44 C45 F54' -146.3(8) . . . . ?
O17 C44 C45 F52' 152.8(7) . . . . ?
C43 C44 C45 F52' -27.2(9) . . . . ?
F55 C46 C47 O19 -174.8(6) . . . . ?
F56 C46 C47 O19 -50.2(8) . . . . ?
F57 C46 C47 O19 65.7(8) . . . . ?
F55 C46 C47 C48 9.4(10) . . . . ?
F56 C46 C47 C48 134.0(8) . . . . ?
F57 C46 C47 C48 -110.1(8) . . . . ?
O19 C47 C48 C49 0.9(16) . . . . ?
C46 C47 C48 C49 175.9(8) . . . . ?
C47 C48 C49 O20 1.6(17) . . . . ?
C47 C48 C49 C50 -175.6(9) . . . . ?
O20 C49 C50 F59 -171.6(6) . . . . ?
C48 C49 C50 F59 6.1(14) . . . . ?
O20 C49 C50 F60 -51.3(10) . . . . ?
C48 C49 C50 F60 126.4(12) . . . . ?
O20 C49 C50 F58 75.9(9) . . . . ?
C48 C49 C50 F58 -106.4(12) . . . . ?
N9 C67 C68 C69 -1.3(10) . . . . ?
N9 C67 C68 C66 -179.8(5) . . . . ?
N6 C66 C68 C69 -179.5(6) . . . . ?
N8 C66 C68 C69 -0.8(9) . . . . ?
N6 C66 C68 C67 -1.1(9) . . . . ?
N8 C66 C68 C67 177.7(6) . . . . ?
C67 C68 C69 C70 1.2(10) . . . . ?
C66 C68 C69 C70 179.6(6) . . . . ?
C68 C69 C70 C71 -0.5(10) . . . . ?
C69 C70 C71 N9 -0.2(11) . . . . ?
N10 C72 C73 C74 3.0(10) . . . . ?
C72 C73 C74 C75 -3.2(9) . . . . ?
C73 C74 C75 C76 2.2(9) . . . . ?
C73 C74 C75 C77 -179.0(6) . . . . ?
C74 C75 C76 N10 -1.0(8) . . . . ?
C77 C75 C76 N10 -179.8(5) . . . . ?
C74 C75 C77 N14 175.8(6) . . . . ?
C76 C75 C77 N14 -5.5(8) . . . . ?
C74 C75 C77 N11 -5.3(8) . . . . ?
C76 C75 C77 N11 173.4(5) . . . . ?
N19 C93 C94 C95 -1.6(9) . . . . ?
N19 C93 C94 C92 -177.8(5) . . . . ?
N17 C92 C94 C95 5.9(9) . . . . ?
N16 C92 C94 C95 -172.2(6) . . . . ?
N17 C92 C94 C93 -178.0(6) . . . . ?
N16 C92 C94 C93 3.9(8) . . . . ?
C93 C94 C95 C96 1.0(10) . . . . ?
C92 C94 C95 C96 177.0(6) . . . . ?
C94 C95 C96 C97 -1.3(11) . . . . ?
C95 C96 C97 N19 2.4(11) . . . . ?
N20 C98 C99 C100 1.5(10) . . . . ?
N20 C98 C99 C52 179.3(6) . . . 1_574 ?
C98 C99 C100 C101 -2.1(10) . . . . ?
C52 C99 C100 C101 -179.8(7) 1_574 . . . ?
C99 C100 C101 C102 2.1(12) . . . . ?
C100 C101 C102 N20 -1.2(12) . . . . ?
C103 C104 C105 C106 179.6(17) . . . . ?
C104 C105 C106 C107 164.4(16) . . . . ?
C105 C106 C107 C108 179.1(13) . . . . ?
C106 C107 C108 C109 173.7(15) . . . . ?
O21 C51 N1 N2 -177.8(6) . . . . ?
N4 C51 N1 N2 -2.5(10) . . . . ?
O21 C51 N1 C54 1.0(10) . . . . ?
N4 C51 N1 C54 176.3(6) . . . . ?
C55 C54 N1 C51 -117.3(8) . . . . ?
C53 C54 N1 C51 117.8(8) . . . . ?
C55 C54 N1 N2 61.6(9) . . . . ?
C53 C54 N1 N2 -63.4(8) . . . . ?
N3 C52 N2 N1 -0.7(10) . . . . ?
C99 C52 N2 N1 177.2(6) 1_536 . . . ?
C51 N1 N2 C52 1.8(9) . . . . ?
C54 N1 N2 C52 -177.0(6) . . . . ?
N2 C52 N3 N4 0.2(11) . . . . ?
C99 C52 N3 N4 -177.6(6) 1_536 . . . ?
O21 C51 N4 N3 177.4(7) . . . . ?
N1 C51 N4 N3 2.1(11) . . . . ?
O21 C51 N4 C57 -6.7(12) . . . . ?
N1 C51 N4 C57 178.0(7) . . . . ?
C52 N3 N4 C51 -1.0(11) . . . . ?
C52 N3 N4 C57 -177.4(7) . . . . ?
C58 C57 N4 C51 124.1(10) . . . . ?
C56 C57 N4 C51 -114.7(9) . . . . ?
C58 C57 N4 N3 -59.6(11) . . . . ?
C56 C57 N4 N3 61.7(8) . . . . ?
O22 C62 N5 N6 -177.7(7) . . . . ?
N7 C62 N5 N6 9.7(11) . . . . ?
O22 C62 N5 C64 1.5(12) . . . . ?
N7 C62 N5 C64 -171.1(7) . . . . ?
C65 C64 N5 N6 59.3(10) . . . . ?
C63 C64 N5 N6 -64.2(9) . . . . ?
C65 C64 N5 C62 -120.0(9) . . . . ?
C63 C64 N5 C62 116.6(9) . . . . ?
N8 C66 N6 N5 3.6(11) . . . . ?
C68 C66 N6 N5 -177.8(6) . . . . ?
C62 N5 N6 C66 -8.5(10) . . . . ?
C64 N5 N6 C66 172.2(7) . . . . ?
O22 C62 N7 N8 -177.9(7) . . . . ?
N5 C62 N7 N8 -5.8(11) . . . . ?
O22 C62 N7 C60 6.3(11) . . . . ?
N5 C62 N7 C60 178.5(6) . . . . ?
C61 C60 N7 C62 -146.6(8) . . . . ?
C59 C60 N7 C62 96.1(8) . . . . ?
C61 C60 N7 N8 37.3(9) . . . . ?
C59 C60 N7 N8 -79.9(7) . . . . ?
N6 C66 N8 N7 0.4(10) . . . . ?
C68 C66 N8 N7 -178.2(5) . . . . ?
C62 N7 N8 C66 0.8(9) . . . . ?
C60 N7 N8 C66 176.8(5) . . . . ?
C70 C71 N9 C67 0.1(10) . . . . ?
C70 C71 N9 Cu1 179.5(6) . . . . ?
C68 C67 N9 C71 0.6(8) . . . . ?
C68 C67 N9 Cu1 -178.8(4) . . . . ?
C73 C72 N10 C76 -1.8(9) . . . . ?
C73 C72 N10 Cu1 174.0(5) . . . . ?
C75 C76 N10 C72 0.8(8) . . . . ?
C75 C76 N10 Cu1 -175.2(4) . . . . ?
N14 C77 N11 N12 -3.0(8) . . . . ?
C75 C77 N11 N12 178.3(5) . . . . ?
O23 C84 N12 N11 173.2(6) . . . . ?
N13 C84 N12 N11 -1.9(9) . . . . ?
O23 C84 N12 C82 -1.5(9) . . . . ?
N13 C84 N12 C82 -176.7(5) . . . . ?
C77 N11 N12 C84 4.5(8) . . . . ?
C77 N11 N12 C82 179.4(5) . . . . ?
C81 C82 N12 C84 -143.1(6) . . . . ?
C83 C82 N12 C84 91.8(7) . . . . ?
C81 C82 N12 N11 41.8(7) . . . . ?
C83 C82 N12 N11 -83.3(7) . . . . ?
O23 C84 N13 N14 -177.6(6) . . . . ?
N12 C84 N13 N14 -2.5(9) . . . . ?
O23 C84 N13 C79 2.6(10) . . . . ?
N12 C84 N13 C79 177.6(6) . . . . ?
C78 C79 N13 N14 -58.0(8) . . . . ?
C80 C79 N13 N14 66.3(8) . . . . ?
C78 C79 N13 C84 121.9(7) . . . . ?
C80 C79 N13 C84 -113.8(7) . . . . ?
N11 C77 N14 N13 -1.0(9) . . . . ?
C75 C77 N14 N13 177.7(5) . . . . ?
C84 N13 N14 C77 4.0(9) . . . . ?
C79 N13 N14 C77 -176.1(6) . . . . ?
O24 C85 N15 N16 -177.6(6) . . . . ?
N18 C85 N15 N16 4.9(9) . . . . ?
O24 C85 N15 C90 -4.0(10) . . . . ?
N18 C85 N15 C90 178.5(6) . . . . ?
C89 C90 N15 N16 -49.7(10) . . . . ?
C91 C90 N15 N16 74.9(10) . . . . ?
C89 C90 N15 C85 136.2(9) . . . . ?
C91 C90 N15 C85 -99.2(9) . . . . ?
N17 C92 N16 N15 -0.2(9) . . . . ?
C94 C92 N16 N15 177.7(5) . . . . ?
C85 N15 N16 C92 -2.7(9) . . . . ?
C90 N15 N16 C92 -176.6(6) . . . . ?
N16 C92 N17 N18 0.6(9) . . . . ?
C94 C92 N17 N18 -177.3(5) . . . . ?
O24 C85 N18 N17 178.0(6) . . . . ?
N15 C85 N18 N17 -4.5(8) . . . . ?
O24 C85 N18 C87 -0.1(10) . . . . ?
N15 C85 N18 C87 177.4(6) . . . . ?
C92 N17 N18 C85 2.0(8) . . . . ?
C92 N17 N18 C87 -179.8(5) . . . . ?
C86 C87 N18 C85 -126.7(7) . . . . ?
C88 C87 N18 C85 110.0(7) . . . . ?
C86 C87 N18 N17 54.9(8) . . . . ?
C88 C87 N18 N17 -68.3(7) . . . . ?
C96 C97 N19 C93 -2.9(9) . . . . ?
C96 C97 N19 Cu2 -177.6(5) . . . . ?
C94 C93 N19 C97 2.5(9) . . . . ?
C94 C93 N19 Cu2 177.4(5) . . . . ?
C99 C98 N20 C102 -0.6(10) . . . . ?
C99 C98 N20 Cu2 -175.8(5) . . . . ?
C101 C102 N20 C98 0.4(10) . . . . ?
C101 C102 N20 Cu2 175.7(6) . . . . ?
C3 C2 O1 Cu2 -13.7(8) . . . . ?
C1 C2 O1 Cu2 166.3(4) . . . . ?
C3 C4 O2 Cu2 15.1(9) . . . . ?
C5 C4 O2 Cu2 -165.7(4) . . . . ?
C8 C7 O3 Cu2 -7.4(10) . . . . ?
C6 C7 O3 Cu2 173.5(4) . . . . ?
C8 C9 O4 Cu2 0.3(9) . . . . ?
C10 C9 O4 Cu2 -179.0(4) . . . . ?
C13 C14 O5 Gd2 7.1(15) . . . . ?
C15 C14 O5 Gd2 -175.8(4) . . . . ?
C13 C12 O6 Gd2 -6.7(13) . . . . ?
C11 C12 O6 Gd2 171.4(5) . . . . ?
C18 C17 O7 Gd2 -2.5(11) . . . . ?
C16 C17 O7 Gd2 177.5(4) . . . . ?
C18 C19 O8 Gd2 2.2(12) . . . . ?
C20 C19 O8 Gd2 -177.5(5) . . . . ?
C23 C22 O9 Gd2 -7.1(12) . . . . ?
C21 C22 O9 Gd2 174.0(5) . . . . ?
C23 C24 O10 Gd2 10.8(14) . . . . ?
C25 C24 O10 Gd2 -166.6(6) . . . . ?
C28 C27 O11 Cu1 0.5(10) . . . . ?
C26 C27 O11 Cu1 -179.1(4) . . . . ?
C28 C29 O12 Cu1 5.3(9) . . . . ?
C30 C29 O12 Cu1 -168.8(5) . . . . ?
C33 C34 O13 Cu1 -18.1(10) . . . . ?
C35 C34 O13 Cu1 161.6(5) . . . . ?
C33 C32 O14 Cu1 3.1(9) . . . . ?
C31 C32 O14 Cu1 -176.5(4) . . . . ?
C38 C39 O15 Gd1 -2.6(11) . . . . ?
C40 C39 O15 Gd1 -177.3(5) . . . . ?
C38 C37 O16 Gd1 -6.7(15) . . . . ?
C36 C37 O16 Gd1 168.8(6) . . . . ?
C43 C44 O17 Gd1 -3.6(14) . . . . ?
C45 C44 O17 Gd1 176.4(4) . . . . ?
C43 C42 O18 Gd1 0.7(12) . . . . ?
C41 C42 O18 Gd1 -176.4(5) . . . . ?
C48 C47 O19 Gd1 -2.3(14) . . . . ?
C46 C47 O19 Gd1 -177.2(4) . . . . ?
C48 C49 O20 Gd1 -2.7(15) . . . . ?
C50 C49 O20 Gd1 175.2(4) . . . . ?
N4 C51 O21 Gd1 86.3(9) . . . . ?
N1 C51 O21 Gd1 -98.6(9) . . . . ?
N13 C84 O23 Gd2 -72.0(15) . . . . ?
N12 C84 O23 Gd2 113.2(11) . . . . ?
N18 C85 O24 Gd2 112.7(8) . . . . ?
N15 C85 O24 Gd2 -64.6(10) . . . . ?



_refine_diff_density_max         1.887
_refine_diff_density_min         -1.064
_refine_diff_density_rms         0.111

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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_P130611E-P
_database_code_depnum_ccdc_archive 'CCDC 997127'
_audit_update_record             
;
2014-12-24 deposited with the CCDC.
2015-02-04 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C109 H98 Cu2 F60 N20 O24 Tb2'
_chemical_formula_weight         3656.99

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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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+1/2, -z'

_cell_length_a                   16.7525(3)
_cell_length_b                   17.5540(3)
_cell_length_c                   24.9087(5)
_cell_angle_alpha                90
_cell_angle_beta                 92.524(2)
_cell_angle_gamma                90
_cell_volume                     7317.9(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    20709
_cell_measurement_theta_min      3.3800
_cell_measurement_theta_max      28.6540

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_F_000             3624
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    1.387
_shelx_estimated_absorpt_T_min   0.732
_shelx_estimated_absorpt_T_max   0.851
_exptl_absorpt_correction_type   multi_scan
_exptl_absorpt_correction_T_min  0.766
_exptl_absorpt_correction_T_max  0.847
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            45203
_diffrn_reflns_av_unetI/netI     0.0751
_diffrn_reflns_av_R_equivalents  0.0359
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.873
_diffrn_reflns_theta_max         29.242
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.870
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.870
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.870
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             29509
_reflns_number_gt                26542
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.939
_reflns_Friedel_fraction_max     0.870
_reflns_Friedel_fraction_full    0.999

_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       CrysAlis
_computing_cell_refinement       CrysAlis
_computing_data_reduction        CrysAlis
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    diamond
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0321P)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_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.644(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         29509
_refine_ls_number_parameters     2001
_refine_ls_number_restraints     115
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0454
_refine_ls_wR_factor_ref         0.0953
_refine_ls_wR_factor_gt          0.0894
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7818(5) 1.3362(7) 0.0704(3) 0.052(3) Uani 1 1 d . . . . .
C2 C 0.7630(4) 1.3209(4) 0.1299(3) 0.0306(18) Uani 1 1 d . . . . .
C3 C 0.6953(4) 1.2771(5) 0.1390(3) 0.0296(17) Uani 1 1 d . . . . .
H3 H 0.6654 1.2587 0.1094 0.035 Uiso 1 1 calc R U . . .
C4 C 0.6708(4) 1.2597(4) 0.1889(3) 0.0278(16) Uani 1 1 d . . . . .
C5 C 0.5967(5) 1.2108(5) 0.1931(3) 0.0372(19) Uani 1 1 d . . . . .
C6 C 0.9486(6) 1.5279(6) 0.3035(4) 0.054(3) Uani 1 1 d . . . . .
C7 C 0.8762(4) 1.4737(4) 0.3067(3) 0.0325(18) Uani 1 1 d . . . . .
C8 C 0.8442(4) 1.4628(5) 0.3564(3) 0.039(2) Uani 1 1 d . . . . .
H8 H 0.8668 1.4890 0.3857 0.047 Uiso 1 1 calc R U . . .
C9 C 0.7799(4) 1.4147(4) 0.3647(3) 0.0277(16) Uani 1 1 d . . . . .
C10 C 0.7490(5) 1.4094(6) 0.4221(3) 0.047(2) Uani 1 1 d . . . . .
C11 C 0.8714(7) 1.1166(7) 0.5515(6) 0.083(4) Uani 1 1 d . . . . .
C12 C 0.8225(5) 1.0484(6) 0.5644(4) 0.049(2) Uani 1 1 d . . . . .
C13 C 0.8065(6) 1.0343(7) 0.6166(4) 0.064(3) Uani 1 1 d . . . . .
H13 H 0.8211 1.0702 0.6427 0.077 Uiso 1 1 calc R U . . .
C14 C 0.7691(6) 0.9680(7) 0.6317(3) 0.056(3) Uani 1 1 d . . . . .
C15 C 0.7532(10) 0.9543(11) 0.6903(5) 0.103(5) Uani 1 1 d . . . . .
C16 C 0.5178(6) 1.0409(7) 0.5307(5) 0.064(3) Uani 1 1 d . . . . .
C17 C 0.5671(5) 0.9791(5) 0.5030(3) 0.040(2) Uani 1 1 d . . . . .
C18 C 0.5323(5) 0.9415(5) 0.4587(4) 0.044(2) Uani 1 1 d . . . . .
H18 H 0.4809 0.9541 0.4462 0.053 Uiso 1 1 calc R U . . .
C19 C 0.5745(4) 0.8853(5) 0.4334(3) 0.0419(19) Uani 1 1 d . . . . .
C20 C 0.5337(5) 0.8427(9) 0.3860(4) 0.070(3) Uani 1 1 d . . . . .
C21 C 1.0053(5) 0.8219(8) 0.5634(5) 0.070(4) Uani 1 1 d . . . . .
C22 C 0.9288(5) 0.8134(5) 0.5298(3) 0.041(2) Uani 1 1 d . . . . .
C23 C 0.9258(5) 0.7601(5) 0.4885(3) 0.044(2) Uani 1 1 d . . . . .
H23 H 0.9705 0.7306 0.4821 0.053 Uiso 1 1 calc R U . . .
C24 C 0.8560(5) 0.7506(5) 0.4565(3) 0.040(2) Uani 1 1 d . . . . .
C25 C 0.8605(7) 0.6911(7) 0.4104(4) 0.059(3) Uani 1 1 d . . . . .
C26 C 0.8918(7) 0.5461(8) 0.7824(4) 0.063(3) Uani 1 1 d . . . . .
C27 C 0.8291(5) 0.4840(5) 0.7885(3) 0.041(2) Uani 1 1 d . . . . .
C28 C 0.8049(5) 0.4688(6) 0.8404(3) 0.049(2) Uani 1 1 d . . . . .
H28 H 0.8273 0.4971 0.8687 0.059 Uiso 1 1 calc R U . . .
C29 C 0.7487(5) 0.4130(5) 0.8516(3) 0.039(2) Uani 1 1 d . . . . .
C30 C 0.7363(7) 0.3952(7) 0.9107(4) 0.065(3) Uani 1 1 d . . . . .
C31 C 0.7203(6) 0.3121(7) 0.5710(4) 0.056(3) Uani 1 1 d . . . . .
C32 C 0.7010(5) 0.3039(5) 0.6306(3) 0.0348(18) Uani 1 1 d . . . . .
C33 C 0.6608(5) 0.2396(5) 0.6460(3) 0.040(2) Uani 1 1 d . . . . .
H33 H 0.6558 0.1994 0.6217 0.048 Uiso 1 1 calc R U . . .
C34 C 0.6268(5) 0.2312(6) 0.6962(4) 0.044(2) Uani 1 1 d . . . . .
C35 C 0.5814(8) 0.1564(9) 0.7058(5) 0.079(4) Uani 1 1 d . . . . .
C36 C 0.6266(7) 0.0294(7) 1.0879(5) 0.066(3) Uani 1 1 d . . . . .
C37 C 0.6276(5) -0.0275(5) 1.0413(3) 0.0346(18) Uani 1 1 d . . . . .
C38 C 0.5574(5) -0.0427(5) 1.0133(3) 0.0369(19) Uani 1 1 d . . . . .
H38 H 0.5110 -0.0175 1.0221 0.044 Uiso 1 1 calc R U . . .
C39 C 0.5547(4) -0.0948(5) 0.9721(3) 0.0309(17) Uani 1 1 d . . . . .
C40 C 0.4750(5) -0.1083(7) 0.9423(4) 0.053(2) Uani 1 1 d . . . . .
C41 C 0.9729(5) -0.2958(6) 0.9382(4) 0.050(2) Uani 1 1 d . . . . .
C42 C 0.9281(4) -0.2330(5) 0.9694(3) 0.0360(19) Uani 1 1 d . . . . .
C43 C 0.9712(4) -0.1848(5) 1.0019(3) 0.045(2) Uani 1 1 d . . . . .
H43 H 1.0260 -0.1919 1.0071 0.055 Uiso 1 1 calc R U . . .
C44 C 0.9342(4) -0.1250(6) 1.0273(3) 0.046(2) Uani 1 1 d . . . . .
C45 C 0.9863(5) -0.0730(6) 1.0637(4) 0.079(4) Uani 1 1 d D U . . .
C46 C 0.6297(7) -0.3964(7) 0.9705(6) 0.081(4) Uani 1 1 d . . . . .
C47 C 0.6652(5) -0.3235(6) 0.9475(4) 0.048(2) Uani 1 1 d . . . . .
C48 C 0.6626(6) -0.3146(7) 0.8924(4) 0.068(3) Uani 1 1 d . . . . .
H48 H 0.6410 -0.3535 0.8710 0.082 Uiso 1 1 calc R U . . .
C49 C 0.6910(5) -0.2497(7) 0.8679(4) 0.057(3) Uani 1 1 d . . . . .
C50 C 0.6840(9) -0.2417(11) 0.8064(5) 0.101(5) Uani 1 1 d . . . . .
C51 C 0.7179(4) -0.2592(5) 1.0942(3) 0.0352(18) Uani 1 1 d . . . . .
C52 C 0.6746(4) -0.3808(5) 1.1498(3) 0.0315(17) Uani 1 1 d . . . . .
C53 C 0.5089(6) -0.2387(6) 1.0752(5) 0.078(4) Uani 1 1 d . . . . .
H53A H 0.5243 -0.2645 1.0433 0.117 Uiso 1 1 calc R U . . .
H53B H 0.4729 -0.1979 1.0656 0.117 Uiso 1 1 calc R U . . .
H53C H 0.4829 -0.2741 1.0981 0.117 Uiso 1 1 calc R U . . .
C54 C 0.5816(5) -0.2071(5) 1.1043(3) 0.041(2) Uani 1 1 d . . . . .
H54 H 0.6038 -0.1673 1.0817 0.049 Uiso 1 1 calc R U . . .
C55 C 0.5642(8) -0.1724(7) 1.1573(4) 0.103(5) Uani 1 1 d . . . . .
H55A H 0.5475 -0.2115 1.1813 0.154 Uiso 1 1 calc R U . . .
H55B H 0.5224 -0.1353 1.1524 0.154 Uiso 1 1 calc R U . . .
H55C H 0.6115 -0.1482 1.1722 0.154 Uiso 1 1 calc R U . . .
C56 C 0.8647(6) -0.3870(7) 1.0530(5) 0.082(4) Uani 1 1 d . . . . .
H56A H 0.8671 -0.4326 1.0743 0.123 Uiso 1 1 calc R U . . .
H56B H 0.9134 -0.3815 1.0344 0.123 Uiso 1 1 calc R U . . .
H56C H 0.8204 -0.3902 1.0272 0.123 Uiso 1 1 calc R U . . .
C57 C 0.8534(5) -0.3169(6) 1.0901(4) 0.056(3) Uani 1 1 d . . . . .
H57 H 0.8621 -0.2707 1.0690 0.068 Uiso 1 1 calc R U . . .
C58 C 0.9076(5) -0.3145(8) 1.1380(4) 0.094(5) Uani 1 1 d . . . . .
H58A H 0.8982 -0.2687 1.1579 0.141 Uiso 1 1 calc R U . . .
H58B H 0.9620 -0.3152 1.1272 0.141 Uiso 1 1 calc R U . . .
H58C H 0.8982 -0.3580 1.1602 0.141 Uiso 1 1 calc R U . . .
C59 C 0.8996(5) -0.1160(5) 0.8254(3) 0.056(2) Uani 1 1 d . . . . .
H59A H 0.8446 -0.1313 0.8255 0.085 Uiso 1 1 calc R U . . .
H59B H 0.9332 -0.1603 0.8269 0.085 Uiso 1 1 calc R U . . .
H59C H 0.9086 -0.0881 0.7930 0.085 Uiso 1 1 calc R U . . .
C60 C 0.9195(4) -0.0649(4) 0.8745(3) 0.0357(18) Uani 1 1 d . . . . .
H60 H 0.9096 -0.0942 0.9070 0.043 Uiso 1 1 calc R U . . .
C61 C 1.0050(5) -0.0411(6) 0.8768(5) 0.071(3) Uani 1 1 d . . . . .
H61A H 1.0167 -0.0149 0.8442 0.106 Uiso 1 1 calc R U . . .
H61B H 1.0385 -0.0853 0.8807 0.106 Uiso 1 1 calc R U . . .
H61C H 1.0149 -0.0077 0.9068 0.106 Uiso 1 1 calc R U . . .
C62 C 0.7972(4) 0.0003(4) 0.8997(3) 0.0298(16) Uani 1 1 d . . . . .
C63 C 0.6793(6) 0.1450(6) 0.9548(4) 0.063(3) Uani 1 1 d . . . . .
H63A H 0.7269 0.1452 0.9777 0.095 Uiso 1 1 calc R U . . .
H63B H 0.6333 0.1482 0.9764 0.095 Uiso 1 1 calc R U . . .
H63C H 0.6800 0.1879 0.9309 0.095 Uiso 1 1 calc R U . . .
C64 C 0.6756(5) 0.0716(5) 0.9221(4) 0.047(2) Uani 1 1 d . . . . .
H64 H 0.6725 0.0292 0.9475 0.056 Uiso 1 1 calc R U . . .
C65 C 0.6043(5) 0.0662(6) 0.8841(4) 0.063(3) Uani 1 1 d . . . . .
H65A H 0.6025 0.1100 0.8609 0.095 Uiso 1 1 calc R U . . .
H65B H 0.5567 0.0644 0.9041 0.095 Uiso 1 1 calc R U . . .
H65C H 0.6080 0.0208 0.8628 0.095 Uiso 1 1 calc R U . . .
C66 C 0.8304(4) 0.1116(4) 0.8319(3) 0.0295(17) Uani 1 1 d . . . . .
C67 C 0.7912(4) 0.2301(4) 0.7845(3) 0.0282(16) Uani 1 1 d . . . . .
H67 H 0.7450 0.2293 0.8039 0.034 Uiso 1 1 calc R U . . .
C68 C 0.8461(4) 0.1736(5) 0.7934(3) 0.0289(16) Uani 1 1 d . . . . .
C69 C 0.9156(5) 0.1733(5) 0.7643(3) 0.037(2) Uani 1 1 d . . . . .
H69 H 0.9536 0.1350 0.7685 0.045 Uiso 1 1 calc R U . . .
C70 C 0.9250(5) 0.2335(5) 0.7284(3) 0.047(2) Uani 1 1 d . . . . .
H70 H 0.9707 0.2362 0.7086 0.056 Uiso 1 1 calc R U . . .
C71 C 0.8686(5) 0.2872(5) 0.7224(3) 0.041(2) Uani 1 1 d . . . . .
H71 H 0.8767 0.3268 0.6985 0.049 Uiso 1 1 calc R U . . .
C72 C 0.5704(4) 0.4557(5) 0.7593(3) 0.0322(17) Uani 1 1 d . . . . .
H72 H 0.5588 0.4159 0.7823 0.039 Uiso 1 1 calc R U . . .
C73 C 0.5202(4) 0.5165(5) 0.7559(3) 0.0368(19) Uani 1 1 d . . . . .
H73 H 0.4756 0.5176 0.7768 0.044 Uiso 1 1 calc R U . . .
C74 C 0.5344(4) 0.5761(4) 0.7222(3) 0.0298(17) Uani 1 1 d . . . . .
H74 H 0.5006 0.6181 0.7201 0.036 Uiso 1 1 calc R U . . .
C75 C 0.6007(4) 0.5714(4) 0.6914(3) 0.0254(16) Uani 1 1 d . . . . .
C76 C 0.6495(4) 0.5079(4) 0.6961(3) 0.0263(15) Uani 1 1 d . . . . .
H76 H 0.6935 0.5045 0.6747 0.032 Uiso 1 1 calc R U . . .
C77 C 0.6215(4) 0.6336(4) 0.6538(3) 0.0256(15) Uani 1 1 d . . . . .
C78 C 0.8540(4) 0.6640(6) 0.6115(4) 0.049(2) Uani 1 1 d . . . . .
H78A H 0.8550 0.7107 0.6315 0.074 Uiso 1 1 calc R U . . .
H78B H 0.9036 0.6580 0.5941 0.074 Uiso 1 1 calc R U . . .
H78C H 0.8467 0.6220 0.6355 0.074 Uiso 1 1 calc R U . . .
C79 C 0.7858(4) 0.6660(5) 0.5696(3) 0.039(2) Uani 1 1 d . . . . .
H79 H 0.7948 0.7092 0.5457 0.047 Uiso 1 1 calc R U . . .
C80 C 0.7797(5) 0.5955(5) 0.5359(3) 0.048(2) Uani 1 1 d . . . . .
H80A H 0.7713 0.5522 0.5585 0.072 Uiso 1 1 calc R U . . .
H80B H 0.8283 0.5888 0.5174 0.072 Uiso 1 1 calc R U . . .
H80C H 0.7356 0.6004 0.5101 0.072 Uiso 1 1 calc R U . . .
C81 C 0.4996(6) 0.8309(6) 0.6512(4) 0.080(4) Uani 1 1 d . . . . .
H81A H 0.4613 0.7927 0.6599 0.120 Uiso 1 1 calc R U . . .
H81B H 0.4730 0.8789 0.6460 0.120 Uiso 1 1 calc R U . . .
H81C H 0.5392 0.8352 0.6801 0.120 Uiso 1 1 calc R U . . .
C82 C 0.5387(4) 0.8091(4) 0.6013(3) 0.0355(19) Uani 1 1 d . . . . .
H82 H 0.5698 0.8529 0.5895 0.043 Uiso 1 1 calc R U . . .
C83 C 0.4808(5) 0.7878(6) 0.5563(4) 0.065(3) Uani 1 1 d . . . . .
H83A H 0.5096 0.7697 0.5263 0.098 Uiso 1 1 calc R U . . .
H83B H 0.4497 0.8316 0.5456 0.098 Uiso 1 1 calc R U . . .
H83C H 0.4459 0.7484 0.5681 0.098 Uiso 1 1 calc R U . . .
C84 C 0.6635(4) 0.7404(4) 0.5845(3) 0.0292(17) Uani 1 1 d . . . . .
C85 C 0.8230(4) 0.9936(4) 0.4073(3) 0.0256(16) Uani 1 1 d . . . . .
C86 C 1.0344(6) 0.9778(7) 0.4360(5) 0.091(4) Uani 1 1 d . . . . .
H86A H 1.0603 1.0088 0.4102 0.137 Uiso 1 1 calc R U . . .
H86B H 1.0701 0.9381 0.4484 0.137 Uiso 1 1 calc R U . . .
H86C H 1.0201 1.0088 0.4659 0.137 Uiso 1 1 calc R U . . .
C87 C 0.9604(5) 0.9431(5) 0.4102(3) 0.043(2) Uani 1 1 d . . . . .
H87 H 0.9370 0.9095 0.4367 0.051 Uiso 1 1 calc R U . . .
C88 C 0.9776(7) 0.8958(7) 0.3621(4) 0.087(4) Uani 1 1 d . . . . .
H88A H 0.9284 0.8765 0.3462 0.130 Uiso 1 1 calc R U . . .
H88B H 1.0116 0.8539 0.3729 0.130 Uiso 1 1 calc R U . . .
H88C H 1.0039 0.9265 0.3364 0.130 Uiso 1 1 calc R U . . .
C89 C 0.6601(6) 1.1220(7) 0.4222(6) 0.109(5) Uani 1 1 d . U . . .
H89A H 0.6997 1.1415 0.4477 0.163 Uiso 1 1 calc R U . . .
H89B H 0.6110 1.1136 0.4398 0.163 Uiso 1 1 calc R U . . .
H89C H 0.6513 1.1582 0.3937 0.163 Uiso 1 1 calc R U . . .
C90 C 0.6888(5) 1.0482(6) 0.3995(4) 0.046(2) Uani 1 1 d . U . . .
H90 H 0.6787 1.0077 0.4254 0.056 Uiso 1 1 calc R U . . .
C91 C 0.6482(6) 1.0257(9) 0.3453(5) 0.118(6) Uani 1 1 d . U . . .
H91A H 0.6028 1.0580 0.3378 0.178 Uiso 1 1 calc R U . . .
H91B H 0.6308 0.9736 0.3468 0.178 Uiso 1 1 calc R U . . .
H91C H 0.6854 1.0313 0.3173 0.178 Uiso 1 1 calc R U . . .
C92 C 0.8748(4) 1.1121(4) 0.3519(3) 0.0268(16) Uani 1 1 d . . . . .
C93 C 0.8458(4) 1.2303(4) 0.3025(3) 0.0267(16) Uani 1 1 d . . . . .
H93 H 0.7942 1.2268 0.3147 0.032 Uiso 1 1 calc R U . . .
C94 C 0.9004(4) 1.1766(4) 0.3181(3) 0.0263(16) Uani 1 1 d . . . . .
C95 C 0.9770(4) 1.1803(5) 0.2991(3) 0.0307(17) Uani 1 1 d . . . . .
H95 H 1.0153 1.1439 0.3088 0.037 Uiso 1 1 calc R U . . .
C96 C 0.9944(5) 1.2394(5) 0.2653(3) 0.041(2) Uani 1 1 d . . . . .
H96 H 1.0451 1.2432 0.2517 0.049 Uiso 1 1 calc R U . . .
C97 C 0.9374(4) 1.2927(5) 0.2515(3) 0.0325(17) Uani 1 1 d . . . . .
H97 H 0.9502 1.3326 0.2289 0.039 Uiso 1 1 calc R U . . .
C98 C 0.7074(4) 1.4968(4) 0.1957(3) 0.0300(17) Uani 1 1 d . . . . .
H98 H 0.7578 1.4998 0.1816 0.036 Uiso 1 1 calc R U . . .
C99 C 0.6529(4) 1.5536(5) 0.1828(3) 0.0309(17) Uani 1 1 d . . . . .
C100 C 0.5764(5) 1.5469(5) 0.2034(3) 0.037(2) Uani 1 1 d . . . . .
H100 H 0.5378 1.5841 0.1963 0.045 Uiso 1 1 calc R U . . .
C101 C 0.5598(5) 1.4842(5) 0.2343(3) 0.042(2) Uani 1 1 d . . . . .
H101 H 0.5092 1.4779 0.2475 0.050 Uiso 1 1 calc R U . . .
C102 C 0.6189(4) 1.4307(4) 0.2455(3) 0.0314(17) Uani 1 1 d . . . . .
H102 H 0.6075 1.3885 0.2664 0.038 Uiso 1 1 calc R U . . .
C103 C 0.8600(9) 1.1159(10) 0.1591(7) 0.139(6) Uani 1 1 d . U . . .
H10A H 0.9160 1.1046 0.1591 0.209 Uiso 1 1 calc R U . . .
H10B H 0.8528 1.1689 0.1670 0.209 Uiso 1 1 calc R U . . .
H10C H 0.8356 1.1045 0.1244 0.209 Uiso 1 1 calc R U . . .
C104 C 0.8246(11) 1.0721(12) 0.1979(8) 0.148(7) Uani 1 1 d . U . . .
H10D H 0.7680 1.0842 0.1963 0.178 Uiso 1 1 calc R U . . .
H10E H 0.8461 1.0891 0.2326 0.178 Uiso 1 1 calc R U . . .
C105 C 0.8316(9) 0.9906(10) 0.1965(6) 0.115(5) Uani 1 1 d . U . . .
H10F H 0.8109 0.9736 0.1615 0.138 Uiso 1 1 calc R U . . .
H10G H 0.8882 0.9784 0.1987 0.138 Uiso 1 1 calc R U . . .
C106 C 0.7943(11) 0.9462(12) 0.2357(7) 0.137(6) Uani 1 1 d . U . . .
H10H H 0.7391 0.9628 0.2361 0.164 Uiso 1 1 calc R U . . .
H10I H 0.8191 0.9599 0.2703 0.164 Uiso 1 1 calc R U . . .
C107 C 0.7933(12) 0.8603(12) 0.2330(7) 0.153(7) Uani 1 1 d . U . . .
H10J H 0.7733 0.8463 0.1972 0.183 Uiso 1 1 calc R U . . .
H10K H 0.8482 0.8430 0.2365 0.183 Uiso 1 1 calc R U . . .
C108 C 0.7488(11) 0.8180(12) 0.2703(7) 0.146(7) Uani 1 1 d . U . . .
H10L H 0.6949 0.8384 0.2689 0.175 Uiso 1 1 calc R U . . .
H10M H 0.7717 0.8290 0.3059 0.175 Uiso 1 1 calc R U . . .
C109 C 0.7420(11) 0.7331(12) 0.2654(7) 0.177(8) Uani 1 1 d . U . . .
H10N H 0.7179 0.7203 0.2309 0.265 Uiso 1 1 calc R U . . .
H10O H 0.7095 0.7139 0.2932 0.265 Uiso 1 1 calc R U . . .
H10P H 0.7943 0.7107 0.2690 0.265 Uiso 1 1 calc R U . . .
Cu1 Cu 0.71637(5) 0.36753(5) 0.73922(3) 0.02587(19) Uani 1 1 d . . . . .
Cu2 Cu 0.77808(5) 1.36290(5) 0.24775(3) 0.02529(19) Uani 1 1 d . . . . .
F1 F 0.7704(6) 1.4098(6) 0.0610(3) 0.136(4) Uani 1 1 d . . . . .
F2 F 0.8546(3) 1.3259(6) 0.0615(2) 0.112(3) Uani 1 1 d . . . . .
F3 F 0.7373(4) 1.3023(5) 0.0362(2) 0.110(3) Uani 1 1 d . . . . .
F4 F 0.5461(3) 1.2423(3) 0.2265(2) 0.0574(15) Uani 1 1 d . . . . .
F5 F 0.6150(3) 1.1425(3) 0.2126(3) 0.0656(17) Uani 1 1 d . . . . .
F6 F 0.5565(3) 1.1996(3) 0.1475(2) 0.0634(16) Uani 1 1 d . . . . .
F7 F 0.9800(4) 1.5465(5) 0.3516(3) 0.098(3) Uani 1 1 d . . . . .
F8 F 1.0051(3) 1.4980(4) 0.2772(2) 0.0708(18) Uani 1 1 d . . . . .
F9 F 0.9268(4) 1.5912(4) 0.2803(4) 0.107(3) Uani 1 1 d . . . . .
F10 F 0.7936(3) 1.4461(4) 0.45858(19) 0.0661(17) Uani 1 1 d . . . . .
F11 F 0.6766(3) 1.4350(5) 0.4235(2) 0.088(2) Uani 1 1 d . . . . .
F12 F 0.7470(4) 1.3371(5) 0.4377(2) 0.091(2) Uani 1 1 d . . . . .
F13 F 0.8819(5) 1.1654(5) 0.5902(4) 0.134(3) Uani 1 1 d . . . . .
F14 F 0.9419(4) 1.0994(5) 0.5341(4) 0.125(3) Uani 1 1 d . . . . .
F15 F 0.8372(4) 1.1558(4) 0.5104(4) 0.105(3) Uani 1 1 d . . . . .
F16 F 0.7795(6) 1.0094(7) 0.7229(3) 0.165(5) Uani 1 1 d . . . . .
F17 F 0.7920(7) 0.8915(8) 0.7088(3) 0.185(5) Uani 1 1 d . . . . .
F18 F 0.6776(6) 0.9410(6) 0.6986(3) 0.138(4) Uani 1 1 d . . . . .
F19 F 0.4935(4) 1.0131(4) 0.5774(3) 0.096(2) Uani 1 1 d . . . . .
F20 F 0.4530(4) 1.0602(5) 0.5031(3) 0.125(3) Uani 1 1 d . . . . .
F21 F 0.5582(4) 1.1015(4) 0.5416(3) 0.082(2) Uani 1 1 d . . . . .
F22 F 0.5153(5) 0.7732(5) 0.4003(3) 0.122(3) Uani 1 1 d . . . . .
F23 F 0.5811(4) 0.8373(7) 0.3470(3) 0.153(4) Uani 1 1 d . . . . .
F24 F 0.4685(3) 0.8771(4) 0.3679(2) 0.083(2) Uani 1 1 d . . . . .
F25 F 0.9930(3) 0.8282(4) 0.6147(2) 0.078(2) Uani 1 1 d . . . . .
F26 F 1.0535(4) 0.7635(6) 0.5606(4) 0.142(4) Uani 1 1 d . . . . .
F27 F 1.0439(4) 0.8835(6) 0.5502(3) 0.137(4) Uani 1 1 d . . . . .
F28 F 0.8969(5) 0.6286(4) 0.4287(3) 0.099(2) Uani 1 1 d . . . . .
F29 F 0.7905(5) 0.6686(5) 0.3948(3) 0.116(3) Uani 1 1 d . . . . .
F30 F 0.8973(6) 0.7173(5) 0.3714(3) 0.146(4) Uani 1 1 d . . . . .
F31 F 0.9202(6) 0.5749(6) 0.8255(3) 0.170(5) Uani 1 1 d . . . . .
F32 F 0.9529(4) 0.5216(5) 0.7557(3) 0.115(3) Uani 1 1 d . . . . .
F33 F 0.8611(4) 0.6016(4) 0.7514(3) 0.101(2) Uani 1 1 d . . . . .
F34 F 0.7716(5) 0.3307(5) 0.9238(2) 0.125(3) Uani 1 1 d . . . . .
F35 F 0.7675(4) 0.4468(5) 0.9446(2) 0.087(2) Uani 1 1 d . . . . .
F36 F 0.6606(4) 0.3895(4) 0.9206(2) 0.093(2) Uani 1 1 d . . . . .
F37 F 0.7967(3) 0.3240(4) 0.5653(2) 0.0706(18) Uani 1 1 d . . . . .
F38 F 0.7004(4) 0.2526(4) 0.5414(2) 0.088(2) Uani 1 1 d . . . . .
F39 F 0.6809(4) 0.3713(4) 0.5503(2) 0.090(2) Uani 1 1 d . . . . .
F40 F 0.6061(5) 0.1235(4) 0.7485(3) 0.099(2) Uani 1 1 d . . . . .
F41 F 0.5047(5) 0.1781(6) 0.7169(4) 0.161(5) Uani 1 1 d . . . . .
F42 F 0.5760(7) 0.1109(5) 0.6680(3) 0.174(6) Uani 1 1 d . . . . .
F43 F 0.5577(4) 0.0526(6) 1.0987(4) 0.182(6) Uani 1 1 d . . . . .
F44 F 0.6476(6) -0.0048(5) 1.1337(3) 0.129(3) Uani 1 1 d . . . . .
F45 F 0.6747(5) 0.0841(4) 1.0846(3) 0.107(3) Uani 1 1 d . . . . .
F46 F 0.4468(4) -0.1767(4) 0.9519(3) 0.094(3) Uani 1 1 d . . . . .
F47 F 0.4204(3) -0.0603(5) 0.9520(4) 0.130(4) Uani 1 1 d . . . . .
F48 F 0.4834(3) -0.1079(5) 0.8896(2) 0.084(2) Uani 1 1 d . . . . .
F49 F 0.9284(4) -0.3570(4) 0.9307(2) 0.0747(18) Uani 1 1 d . . . . .
F50 F 1.0385(3) -0.3170(4) 0.9652(3) 0.083(2) Uani 1 1 d . . . . .
F51 F 0.9918(4) -0.2690(4) 0.8913(3) 0.089(2) Uani 1 1 d . . . . .
F52 F 0.9886(11) -0.1040(9) 1.1124(4) 0.132(7) Uani 0.70(2) 1 d D U P A 1
F53 F 1.0598(5) -0.0681(10) 1.0475(6) 0.122(7) Uani 0.70(2) 1 d D U P A 1
F54 F 0.9582(7) -0.0038(6) 1.0679(8) 0.125(6) Uani 0.70(2) 1 d D U P A 1
F52' F 1.0480(18) -0.1122(17) 1.0845(15) 0.124(13) Uani 0.30(2) 1 d D U P A 2
F53' F 1.013(3) -0.0190(16) 1.0324(9) 0.139(15) Uani 0.30(2) 1 d D U P A 2
F54' F 0.9496(16) -0.042(2) 1.1030(12) 0.128(15) Uani 0.30(2) 1 d D U P A 2
F55 F 0.6137(4) -0.4490(4) 0.9344(3) 0.102(3) Uani 1 1 d . . . . .
F56 F 0.6785(6) -0.4242(5) 1.0089(4) 0.138(4) Uani 1 1 d . . . . .
F57 F 0.5617(5) -0.3803(5) 0.9940(4) 0.153(5) Uani 1 1 d . . . . .
F58 F 0.7572(5) -0.2437(7) 0.7875(3) 0.143(4) Uani 1 1 d . . . . .
F59 F 0.6463(6) -0.2985(7) 0.7836(3) 0.163(5) Uani 1 1 d . . . . .
F60 F 0.6528(8) -0.1756(8) 0.7916(3) 0.184(6) Uani 1 1 d . . . . .
N1 N 0.6427(4) -0.2677(4) 1.1119(2) 0.0342(15) Uani 1 1 d . . . . .
N2 N 0.6187(4) -0.3291(4) 1.1407(3) 0.0394(17) Uani 1 1 d . . . . .
N3 N 0.7492(4) -0.3804(4) 1.1348(3) 0.0392(17) Uani 1 1 d . . . . .
N4 N 0.7687(4) -0.3170(4) 1.1062(3) 0.0433(19) Uani 1 1 d . . . . .
N5 N 0.7494(4) 0.0622(4) 0.8933(3) 0.0380(17) Uani 1 1 d . . . . .
N6 N 0.7635(4) 0.1191(4) 0.8581(3) 0.0383(17) Uani 1 1 d . . . . .
N7 N 0.8645(3) 0.0005(3) 0.8720(2) 0.0278(14) Uani 1 1 d . . . . .
N8 N 0.8833(4) 0.0558(4) 0.8363(2) 0.0302(14) Uani 1 1 d . . . . .
N9 N 0.8008(3) 0.2865(3) 0.7493(2) 0.0255(13) Uani 1 1 d . . . . .
N10 N 0.6357(3) 0.4510(3) 0.7306(2) 0.0267(13) Uani 1 1 d . . . . .
N11 N 0.5695(4) 0.6892(3) 0.6453(2) 0.0292(14) Uani 1 1 d . . . . .
N12 N 0.5945(3) 0.7449(4) 0.6116(2) 0.0286(14) Uani 1 1 d . . . . .
N13 N 0.7099(3) 0.6792(4) 0.5958(2) 0.0299(14) Uani 1 1 d . . . . .
N14 N 0.6919(3) 0.6240(4) 0.6316(2) 0.0328(15) Uani 1 1 d . . . . .
N15 N 0.7747(3) 1.0515(4) 0.3921(2) 0.0318(15) Uani 1 1 d . . . . .
N16 N 0.7984(4) 1.1119(4) 0.3621(2) 0.0340(16) Uani 1 1 d . . . . .
N17 N 0.9298(4) 1.0611(4) 0.3667(2) 0.0312(14) Uani 1 1 d . . . . .
N18 N 0.9020(3) 1.0020(4) 0.3962(2) 0.0288(14) Uani 1 1 d . . . . .
N19 N 0.8642(3) 1.2887(3) 0.2699(2) 0.0253(13) Uani 1 1 d . . . . .
N20 N 0.6918(3) 1.4386(3) 0.2269(2) 0.0271(13) Uani 1 1 d . . . . .
O1 O 0.8109(3) 1.3520(3) 0.16196(17) 0.0337(12) Uani 1 1 d . . . . .
O2 O 0.7014(3) 1.2774(3) 0.23446(18) 0.0304(12) Uani 1 1 d . . . . .
O3 O 0.8555(3) 1.4481(3) 0.26143(19) 0.0329(12) Uani 1 1 d . . . . .
O4 O 0.7418(3) 1.3739(3) 0.33249(18) 0.0350(12) Uani 1 1 d . . . . .
O5 O 0.7451(3) 0.9143(4) 0.6028(2) 0.0481(16) Uani 1 1 d . . . . .
O6 O 0.8046(3) 1.0074(3) 0.5240(2) 0.0403(14) Uani 1 1 d . . . . .
O7 O 0.6351(3) 0.9707(3) 0.5239(2) 0.0355(13) Uani 1 1 d . . . . .
O8 O 0.6442(3) 0.8630(3) 0.44573(19) 0.0366(13) Uani 1 1 d . . . . .
O9 O 0.8731(3) 0.8578(3) 0.5429(2) 0.0379(14) Uani 1 1 d . . . . .
O10 O 0.7920(3) 0.7839(3) 0.4605(2) 0.0350(13) Uani 1 1 d . . . . .
O11 O 0.8080(3) 0.4546(3) 0.7456(2) 0.0348(12) Uani 1 1 d . . . . .
O12 O 0.7083(3) 0.3721(3) 0.8205(2) 0.0394(13) Uani 1 1 d . . . . .
O13 O 0.6288(3) 0.2771(4) 0.7339(2) 0.0441(15) Uani 1 1 d . . . . .
O14 O 0.7225(3) 0.3600(3) 0.65739(19) 0.0366(13) Uani 1 1 d . . . . .
O15 O 0.6098(3) -0.1350(3) 0.95747(19) 0.0351(13) Uani 1 1 d . . . . .
O16 O 0.6954(3) -0.0554(3) 1.0346(2) 0.0343(13) Uani 1 1 d . . . . .
O17 O 0.8625(3) -0.1094(3) 1.02597(19) 0.0365(12) Uani 1 1 d . . . . .
O18 O 0.8535(3) -0.2317(3) 0.9584(2) 0.0333(12) Uani 1 1 d . . . . .
O19 O 0.6901(3) -0.2778(3) 0.9815(2) 0.0402(14) Uani 1 1 d . . . . .
O20 O 0.7236(3) -0.1921(4) 0.8896(2) 0.0413(14) Uani 1 1 d . . . . .
O21 O 0.7383(3) -0.2011(3) 1.06934(19) 0.0373(13) Uani 1 1 d . . . . .
O22 O 0.7811(3) -0.0522(3) 0.9306(2) 0.0406(14) Uani 1 1 d . . . . .
O23 O 0.6801(3) 0.7889(3) 0.5503(2) 0.0333(12) Uani 1 1 d . . . . .
O24 O 0.7986(3) 0.9360(3) 0.43014(19) 0.0337(12) Uani 1 1 d . . . . .
Tb1 Tb 0.74533(2) -0.15587(2) 0.98127(2) 0.02302(8) Uani 1 1 d . . . . .
Tb2 Tb 0.74549(2) 0.88964(2) 0.51026(2) 0.02477(9) Uani 1 1 d . . . . .


_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
C1 F3 1.255(11) . ?
C1 F2 1.262(9) . ?
C1 F1 1.325(14) . ?
C1 C2 1.553(10) . ?
C2 O1 1.233(8) . ?
C2 C3 1.397(9) . ?
C3 C4 1.360(10) . ?
C4 O2 1.263(8) . ?
C4 C5 1.518(10) . ?
C5 F6 1.308(9) . ?
C5 F5 1.324(10) . ?
C5 F4 1.335(9) . ?
C6 F8 1.288(10) . ?
C6 F9 1.298(12) . ?
C6 F7 1.327(11) . ?
C6 C7 1.547(12) . ?
C7 O3 1.248(9) . ?
C7 C8 1.384(10) . ?
C8 C9 1.391(10) . ?
C9 O4 1.232(8) . ?
C9 C10 1.545(10) . ?
C10 F11 1.295(10) . ?
C10 F10 1.318(9) . ?
C10 F12 1.329(12) . ?
C11 F13 1.296(15) . ?
C11 F14 1.311(14) . ?
C11 F15 1.341(14) . ?
C11 C12 1.494(15) . ?
C12 O6 1.263(11) . ?
C12 C13 1.361(14) . ?
C13 C14 1.383(14) . ?
C14 O5 1.241(11) . ?
C14 C15 1.514(15) . ?
C15 F18 1.313(15) . ?
C15 F16 1.327(17) . ?
C15 F17 1.35(2) . ?
C16 F21 1.283(12) . ?
C16 F20 1.305(11) . ?
C16 F19 1.341(12) . ?
C16 C17 1.545(13) . ?
C17 O7 1.240(9) . ?
C17 C18 1.391(12) . ?
C18 C19 1.382(12) . ?
C19 O8 1.257(8) . ?
C19 C20 1.532(13) . ?
C20 F23 1.286(11) . ?
C20 F24 1.309(11) . ?
C20 F22 1.311(15) . ?
C21 F27 1.309(14) . ?
C21 F25 1.309(12) . ?
C21 F26 1.309(14) . ?
C21 C22 1.507(12) . ?
C22 O9 1.269(10) . ?
C22 C23 1.391(12) . ?
C23 C24 1.396(11) . ?
C24 O10 1.229(9) . ?
C24 C25 1.557(13) . ?
C25 F30 1.259(13) . ?
C25 F29 1.280(12) . ?
C25 F28 1.327(12) . ?
C26 F31 1.261(12) . ?
C26 F32 1.317(12) . ?
C26 F33 1.333(13) . ?
C26 C27 1.526(14) . ?
C27 O11 1.225(10) . ?
C27 C28 1.397(11) . ?
C28 C29 1.396(12) . ?
C29 O12 1.234(9) . ?
C29 C30 1.530(12) . ?
C30 F36 1.307(11) . ?
C30 F34 1.312(13) . ?
C30 F35 1.329(13) . ?
C31 F37 1.311(11) . ?
C31 F38 1.313(12) . ?
C31 F39 1.325(11) . ?
C31 C32 1.539(11) . ?
C32 O14 1.233(9) . ?
C32 C33 1.378(11) . ?
C33 C34 1.405(11) . ?
C34 O13 1.236(11) . ?
C34 C35 1.541(15) . ?
C35 F42 1.234(16) . ?
C35 F40 1.265(12) . ?
C35 F41 1.380(15) . ?
C36 F45 1.260(13) . ?
C36 F43 1.264(12) . ?
C36 F44 1.322(14) . ?
C36 C37 1.531(13) . ?
C37 O16 1.255(8) . ?
C37 C38 1.367(10) . ?
C38 C39 1.372(11) . ?
C39 O15 1.231(8) . ?
C39 C40 1.518(11) . ?
C40 F47 1.275(11) . ?
C40 F46 1.317(13) . ?
C40 F48 1.327(10) . ?
C41 F51 1.311(10) . ?
C41 F49 1.316(11) . ?
C41 F50 1.317(10) . ?
C41 C42 1.559(11) . ?
C42 O18 1.268(8) . ?
C42 C43 1.355(12) . ?
C43 C44 1.386(12) . ?
C44 O17 1.230(8) . ?
C44 C45 1.531(12) . ?
C45 F54' 1.298(11) . ?
C45 F54 1.308(10) . ?
C45 F53' 1.316(12) . ?
C45 F53 1.315(9) . ?
C45 F52' 1.329(11) . ?
C45 F52 1.330(10) . ?
C46 F55 1.310(13) . ?
C46 F56 1.323(15) . ?
C46 F57 1.334(13) . ?
C46 C47 1.532(15) . ?
C47 O19 1.227(10) . ?
C47 C48 1.380(14) . ?
C48 C49 1.388(15) . ?
C49 O20 1.259(11) . ?
C49 C50 1.539(15) . ?
C50 F59 1.297(15) . ?
C50 F60 1.32(2) . ?
C50 F58 1.332(15) . ?
C51 O21 1.249(9) . ?
C51 N4 1.348(10) . ?
C51 N1 1.362(9) . ?
C52 N2 1.317(10) . ?
C52 N3 1.320(9) . ?
C52 C99 1.469(10) 1_536 ?
C53 C54 1.495(12) . ?
C54 N1 1.482(10) . ?
C54 C55 1.495(12) . ?
C56 C57 1.557(15) . ?
C57 C58 1.468(13) . ?
C57 N4 1.491(9) . ?
C59 C60 1.541(11) . ?
C60 N7 1.471(9) . ?
C60 C61 1.491(11) . ?
C62 O22 1.238(8) . ?
C62 N7 1.348(9) . ?
C62 N5 1.354(9) . ?
C63 C64 1.526(14) . ?
C64 N5 1.466(10) . ?
C64 C65 1.493(12) . ?
C66 N8 1.322(9) . ?
C66 N6 1.329(9) . ?
C66 C68 1.481(10) . ?
C67 N9 1.339(8) . ?
C67 C68 1.363(10) . ?
C68 C69 1.399(10) . ?
C69 C70 1.396(10) . ?
C70 C71 1.339(11) . ?
C71 N9 1.343(9) . ?
C72 N10 1.335(8) . ?
C72 C73 1.359(10) . ?
C73 C74 1.368(10) . ?
C74 C75 1.380(10) . ?
C75 C76 1.384(10) . ?
C75 C77 1.490(9) . ?
C76 N10 1.343(8) . ?
C77 N11 1.319(9) . ?
C77 N14 1.336(8) . ?
C78 C79 1.514(11) . ?
C79 N13 1.473(9) . ?
C79 C80 1.497(12) . ?
C81 C82 1.482(10) . ?
C82 N12 1.480(9) . ?
C82 C83 1.497(12) . ?
C84 O23 1.246(8) . ?
C84 N13 1.347(9) . ?
C84 N12 1.365(8) . ?
C85 O24 1.238(8) . ?
C85 N15 1.344(9) . ?
C85 N18 1.371(8) . ?
C86 C87 1.501(13) . ?
C87 N18 1.456(10) . ?
C87 C88 1.495(13) . ?
C89 C90 1.501(14) . ?
C90 N15 1.460(9) . ?
C90 C91 1.538(14) . ?
C92 N16 1.316(9) . ?
C92 N17 1.325(9) . ?
C92 C94 1.485(9) . ?
C93 N19 1.352(9) . ?
C93 C94 1.359(10) . ?
C94 C95 1.389(9) . ?
C95 C96 1.375(10) . ?
C96 C97 1.370(11) . ?
C97 N19 1.331(8) . ?
C98 N20 1.318(9) . ?
C98 C99 1.381(10) . ?
C99 C100 1.405(10) . ?
C99 C52 1.469(10) 1_574 ?
C100 C101 1.379(11) . ?
C101 C102 1.384(11) . ?
C102 N20 1.332(9) . ?
C103 C104 1.388(19) . ?
C104 C105 1.44(2) . ?
C105 C106 1.42(2) . ?
C106 C107 1.51(2) . ?
C107 C108 1.43(2) . ?
C108 C109 1.50(2) . ?
Cu1 N10 1.999(6) . ?
Cu1 N9 2.014(6) . ?
Cu1 O12 2.038(5) . ?
Cu1 O14 2.049(5) . ?
Cu1 O13 2.161(6) . ?
Cu1 O11 2.167(5) . ?
Cu2 O2 1.994(5) . ?
Cu2 O3 1.999(5) . ?
Cu2 N19 2.003(6) . ?
Cu2 N20 2.014(6) . ?
Cu2 O4 2.231(4) . ?
Cu2 O1 2.238(4) . ?
N1 N2 1.365(8) . ?
N3 N4 1.369(8) . ?
N5 N6 1.357(8) . ?
N7 N8 1.363(8) . ?
N11 N12 1.368(7) . ?
N13 N14 1.360(8) . ?
N15 N16 1.367(8) . ?
N17 N18 1.367(8) . ?
O5 Tb2 2.347(6) . ?
O6 Tb2 2.311(6) . ?
O7 Tb2 2.369(5) . ?
O8 Tb2 2.333(5) . ?
O9 Tb2 2.322(5) . ?
O10 Tb2 2.383(6) . ?
O15 Tb1 2.350(4) . ?
O16 Tb1 2.382(5) . ?
O17 Tb1 2.359(5) . ?
O18 Tb1 2.340(5) . ?
O19 Tb1 2.331(6) . ?
O20 Tb1 2.383(5) . ?
O21 Tb1 2.341(5) . ?
O22 Tb1 2.308(5) . ?
O23 Tb2 2.328(5) . ?
O24 Tb2 2.364(4) . ?

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
F3 C1 F2 111.3(9) . . ?
F3 C1 F1 105.5(9) . . ?
F2 C1 F1 103.9(10) . . ?
F3 C1 C2 115.2(8) . . ?
F2 C1 C2 112.3(7) . . ?
F1 C1 C2 107.6(9) . . ?
O1 C2 C3 130.4(6) . . ?
O1 C2 C1 112.9(6) . . ?
C3 C2 C1 116.8(6) . . ?
C4 C3 C2 123.4(6) . . ?
O2 C4 C3 129.7(7) . . ?
O2 C4 C5 112.3(6) . . ?
C3 C4 C5 118.0(7) . . ?
F6 C5 F5 106.6(7) . . ?
F6 C5 F4 106.6(7) . . ?
F5 C5 F4 106.7(7) . . ?
F6 C5 C4 114.7(7) . . ?
F5 C5 C4 111.1(7) . . ?
F4 C5 C4 110.6(6) . . ?
F8 C6 F9 108.7(9) . . ?
F8 C6 F7 106.9(8) . . ?
F9 C6 F7 106.6(9) . . ?
F8 C6 C7 111.7(8) . . ?
F9 C6 C7 110.1(8) . . ?
F7 C6 C7 112.7(8) . . ?
O3 C7 C8 130.9(7) . . ?
O3 C7 C6 111.3(7) . . ?
C8 C7 C6 117.8(7) . . ?
C7 C8 C9 123.4(7) . . ?
O4 C9 C8 129.6(6) . . ?
O4 C9 C10 112.5(6) . . ?
C8 C9 C10 117.9(6) . . ?
F11 C10 F10 108.4(7) . . ?
F11 C10 F12 106.8(8) . . ?
F10 C10 F12 106.6(8) . . ?
F11 C10 C9 110.8(7) . . ?
F10 C10 C9 113.9(7) . . ?
F12 C10 C9 109.9(7) . . ?
F13 C11 F14 107.7(11) . . ?
F13 C11 F15 105.6(11) . . ?
F14 C11 F15 103.2(13) . . ?
F13 C11 C12 115.3(13) . . ?
F14 C11 C12 113.3(11) . . ?
F15 C11 C12 110.8(10) . . ?
O6 C12 C13 127.4(9) . . ?
O6 C12 C11 113.5(10) . . ?
C13 C12 C11 118.9(10) . . ?
C12 C13 C14 121.6(9) . . ?
O5 C14 C13 128.3(9) . . ?
O5 C14 C15 111.9(11) . . ?
C13 C14 C15 119.8(10) . . ?
F18 C15 F16 109.3(14) . . ?
F18 C15 F17 104.8(14) . . ?
F16 C15 F17 104.2(12) . . ?
F18 C15 C14 113.0(11) . . ?
F16 C15 C14 114.0(13) . . ?
F17 C15 C14 110.8(14) . . ?
F21 C16 F20 108.4(10) . . ?
F21 C16 F19 107.2(10) . . ?
F20 C16 F19 106.0(9) . . ?
F21 C16 C17 113.0(8) . . ?
F20 C16 C17 113.3(9) . . ?
F19 C16 C17 108.6(9) . . ?
O7 C17 C18 128.3(8) . . ?
O7 C17 C16 113.4(8) . . ?
C18 C17 C16 118.3(8) . . ?
C19 C18 C17 119.8(7) . . ?
O8 C19 C18 126.8(8) . . ?
O8 C19 C20 114.5(8) . . ?
C18 C19 C20 118.7(8) . . ?
F23 C20 F24 107.9(9) . . ?
F23 C20 F22 107.2(13) . . ?
F24 C20 F22 108.7(9) . . ?
F23 C20 C19 110.4(8) . . ?
F24 C20 C19 112.2(11) . . ?
F22 C20 C19 110.4(9) . . ?
F27 C21 F25 106.0(11) . . ?
F27 C21 F26 108.8(9) . . ?
F25 C21 F26 104.0(10) . . ?
F27 C21 C22 111.1(9) . . ?
F25 C21 C22 112.5(8) . . ?
F26 C21 C22 113.9(11) . . ?
O9 C22 C23 126.9(7) . . ?
O9 C22 C21 114.4(9) . . ?
C23 C22 C21 118.6(9) . . ?
C22 C23 C24 120.4(8) . . ?
O10 C24 C23 127.5(8) . . ?
O10 C24 C25 116.7(8) . . ?
C23 C24 C25 115.8(8) . . ?
F30 C25 F29 110.7(11) . . ?
F30 C25 F28 109.5(9) . . ?
F29 C25 F28 104.5(11) . . ?
F30 C25 C24 111.3(10) . . ?
F29 C25 C24 110.9(8) . . ?
F28 C25 C24 109.7(9) . . ?
F31 C26 F32 106.8(11) . . ?
F31 C26 F33 108.8(12) . . ?
F32 C26 F33 103.5(9) . . ?
F31 C26 C27 116.0(9) . . ?
F32 C26 C27 111.7(10) . . ?
F33 C26 C27 109.2(9) . . ?
O11 C27 C28 129.9(8) . . ?
O11 C27 C26 112.9(8) . . ?
C28 C27 C26 117.2(8) . . ?
C29 C28 C27 123.0(8) . . ?
O12 C29 C28 129.7(7) . . ?
O12 C29 C30 113.1(8) . . ?
C28 C29 C30 117.2(8) . . ?
F36 C30 F34 108.5(11) . . ?
F36 C30 F35 106.9(8) . . ?
F34 C30 F35 105.7(10) . . ?
F36 C30 C29 111.8(9) . . ?
F34 C30 C29 109.7(8) . . ?
F35 C30 C29 114.0(10) . . ?
F37 C31 F38 106.8(8) . . ?
F37 C31 F39 107.7(9) . . ?
F38 C31 F39 107.1(8) . . ?
F37 C31 C32 111.6(8) . . ?
F38 C31 C32 114.1(9) . . ?
F39 C31 C32 109.1(8) . . ?
O14 C32 C33 129.7(7) . . ?
O14 C32 C31 112.2(8) . . ?
C33 C32 C31 118.0(8) . . ?
C32 C33 C34 123.7(8) . . ?
O13 C34 C33 127.5(9) . . ?
O13 C34 C35 115.8(9) . . ?
C33 C34 C35 116.6(9) . . ?
F42 C35 F40 110.9(14) . . ?
F42 C35 F41 107.2(12) . . ?
F40 C35 F41 103.4(10) . . ?
F42 C35 C34 116.9(10) . . ?
F40 C35 C34 111.9(10) . . ?
F41 C35 C34 105.5(12) . . ?
F45 C36 F43 111.2(11) . . ?
F45 C36 F44 104.8(10) . . ?
F43 C36 F44 100.0(11) . . ?
F45 C36 C37 114.8(10) . . ?
F43 C36 C37 114.3(9) . . ?
F44 C36 C37 110.2(10) . . ?
O16 C37 C38 128.1(8) . . ?
O16 C37 C36 113.4(8) . . ?
C38 C37 C36 118.5(8) . . ?
C37 C38 C39 120.8(7) . . ?
O15 C39 C38 127.1(7) . . ?
O15 C39 C40 114.9(7) . . ?
C38 C39 C40 118.0(7) . . ?
F47 C40 F46 107.6(8) . . ?
F47 C40 F48 107.1(9) . . ?
F46 C40 F48 103.9(9) . . ?
F47 C40 C39 115.2(9) . . ?
F46 C40 C39 111.6(8) . . ?
F48 C40 C39 110.7(7) . . ?
F51 C41 F49 108.9(9) . . ?
F51 C41 F50 109.0(8) . . ?
F49 C41 F50 107.3(8) . . ?
F51 C41 C42 109.4(8) . . ?
F49 C41 C42 111.5(7) . . ?
F50 C41 C42 110.7(8) . . ?
O18 C42 C43 127.7(7) . . ?
O18 C42 C41 113.3(8) . . ?
C43 C42 C41 118.9(7) . . ?
C42 C43 C44 120.5(7) . . ?
O17 C44 C43 127.7(8) . . ?
O17 C44 C45 114.4(8) . . ?
C43 C44 C45 117.8(7) . . ?
F54' C45 F53' 109.1(12) . . ?
F54 C45 F53 108.0(10) . . ?
F54' C45 F52' 107.9(12) . . ?
F53' C45 F52' 109.3(12) . . ?
F54 C45 F52 107.6(10) . . ?
F53 C45 F52 108.4(9) . . ?
F54' C45 C44 114.8(14) . . ?
F54 C45 C44 113.8(9) . . ?
F53' C45 C44 106.0(14) . . ?
F53 C45 C44 112.1(9) . . ?
F52' C45 C44 109.6(15) . . ?
F52 C45 C44 106.8(9) . . ?
F55 C46 F56 109.7(12) . . ?
F55 C46 F57 107.3(10) . . ?
F56 C46 F57 105.8(13) . . ?
F55 C46 C47 113.8(12) . . ?
F56 C46 C47 109.9(9) . . ?
F57 C46 C47 109.9(10) . . ?
O19 C47 C48 127.4(10) . . ?
O19 C47 C46 114.5(9) . . ?
C48 C47 C46 118.0(10) . . ?
C47 C48 C49 122.2(9) . . ?
O20 C49 C48 128.4(9) . . ?
O20 C49 C50 111.6(10) . . ?
C48 C49 C50 120.0(10) . . ?
F59 C50 F60 112.1(14) . . ?
F59 C50 F58 105.3(13) . . ?
F60 C50 F58 106.6(15) . . ?
F59 C50 C49 112.3(13) . . ?
F60 C50 C49 111.7(12) . . ?
F58 C50 C49 108.5(12) . . ?
O21 C51 N4 122.7(7) . . ?
O21 C51 N1 121.8(7) . . ?
N4 C51 N1 115.5(7) . . ?
N2 C52 N3 128.4(7) . . ?
N2 C52 C99 116.4(6) . 1_536 ?
N3 C52 C99 115.1(7) . 1_536 ?
N1 C54 C53 109.8(8) . . ?
N1 C54 C55 109.8(7) . . ?
C53 C54 C55 113.1(9) . . ?
C58 C57 N4 110.1(8) . . ?
C58 C57 C56 114.8(9) . . ?
N4 C57 C56 107.5(8) . . ?
N7 C60 C61 112.4(7) . . ?
N7 C60 C59 107.9(7) . . ?
C61 C60 C59 111.6(7) . . ?
O22 C62 N7 122.0(7) . . ?
O22 C62 N5 121.8(7) . . ?
N7 C62 N5 116.2(6) . . ?
N5 C64 C65 110.6(8) . . ?
N5 C64 C63 109.9(7) . . ?
C65 C64 C63 113.9(8) . . ?
N8 C66 N6 127.5(7) . . ?
N8 C66 C68 117.5(6) . . ?
N6 C66 C68 115.0(7) . . ?
N9 C67 C68 123.0(6) . . ?
C67 C68 C69 119.3(7) . . ?
C67 C68 C66 120.1(6) . . ?
C69 C68 C66 120.6(7) . . ?
C70 C69 C68 116.7(7) . . ?
C71 C70 C69 120.3(7) . . ?
C70 C71 N9 123.2(7) . . ?
N10 C72 C73 122.3(7) . . ?
C72 C73 C74 121.0(7) . . ?
C73 C74 C75 117.5(7) . . ?
C74 C75 C76 119.2(6) . . ?
C74 C75 C77 121.4(7) . . ?
C76 C75 C77 119.4(6) . . ?
N10 C76 C75 122.3(6) . . ?
N11 C77 N14 128.0(6) . . ?
N11 C77 C75 118.2(6) . . ?
N14 C77 C75 113.8(6) . . ?
N13 C79 C80 109.9(7) . . ?
N13 C79 C78 109.8(7) . . ?
C80 C79 C78 113.5(7) . . ?
N12 C82 C81 110.5(6) . . ?
N12 C82 C83 108.9(7) . . ?
C81 C82 C83 113.4(8) . . ?
O23 C84 N13 122.9(6) . . ?
O23 C84 N12 121.2(7) . . ?
N13 C84 N12 115.9(6) . . ?
O24 C85 N15 122.7(6) . . ?
O24 C85 N18 121.4(7) . . ?
N15 C85 N18 115.9(6) . . ?
N18 C87 C88 110.8(7) . . ?
N18 C87 C86 110.3(8) . . ?
C88 C87 C86 112.6(8) . . ?
N15 C90 C89 110.3(8) . . ?
N15 C90 C91 107.5(7) . . ?
C89 C90 C91 114.7(10) . . ?
N16 C92 N17 127.9(7) . . ?
N16 C92 C94 114.8(7) . . ?
N17 C92 C94 117.3(6) . . ?
N19 C93 C94 121.9(7) . . ?
C93 C94 C95 119.4(7) . . ?
C93 C94 C92 118.9(6) . . ?
C95 C94 C92 121.6(7) . . ?
C96 C95 C94 118.0(7) . . ?
C97 C96 C95 120.3(7) . . ?
N19 C97 C96 121.4(7) . . ?
N20 C98 C99 123.5(7) . . ?
C98 C99 C100 117.3(7) . . ?
C98 C99 C52 121.2(6) . 1_574 ?
C100 C99 C52 121.5(7) . 1_574 ?
C101 C100 C99 118.7(8) . . ?
C100 C101 C102 119.7(7) . . ?
N20 C102 C101 121.1(7) . . ?
C103 C104 C105 119.8(18) . . ?
C106 C105 C104 119.5(17) . . ?
C105 C106 C107 121.5(17) . . ?
C108 C107 C106 119.7(19) . . ?
C107 C108 C109 120.3(19) . . ?
N10 Cu1 N9 177.7(3) . . ?
N10 Cu1 O12 90.2(2) . . ?
N9 Cu1 O12 88.9(2) . . ?
N10 Cu1 O14 90.2(2) . . ?
N9 Cu1 O14 90.7(2) . . ?
O12 Cu1 O14 178.3(2) . . ?
N10 Cu1 O13 94.5(2) . . ?
N9 Cu1 O13 87.7(2) . . ?
O12 Cu1 O13 90.9(2) . . ?
O14 Cu1 O13 87.4(2) . . ?
N10 Cu1 O11 88.0(2) . . ?
N9 Cu1 O11 89.9(2) . . ?
O12 Cu1 O11 88.7(2) . . ?
O14 Cu1 O11 93.0(2) . . ?
O13 Cu1 O11 177.5(2) . . ?
O2 Cu2 O3 179.5(2) . . ?
O2 Cu2 N19 90.4(2) . . ?
O3 Cu2 N19 89.2(2) . . ?
O2 Cu2 N20 90.2(2) . . ?
O3 Cu2 N20 90.2(2) . . ?
N19 Cu2 N20 178.9(2) . . ?
O2 Cu2 O4 91.27(18) . . ?
O3 Cu2 O4 88.59(19) . . ?
N19 Cu2 O4 91.1(2) . . ?
N20 Cu2 O4 87.9(2) . . ?
O2 Cu2 O1 87.73(19) . . ?
O3 Cu2 O1 92.42(19) . . ?
N19 Cu2 O1 90.2(2) . . ?
N20 Cu2 O1 90.8(2) . . ?
O4 Cu2 O1 178.40(17) . . ?
C51 N1 N2 123.6(7) . . ?
C51 N1 C54 121.6(7) . . ?
N2 N1 C54 114.6(6) . . ?
C52 N2 N1 114.3(6) . . ?
C52 N3 N4 113.8(6) . . ?
C51 N4 N3 124.3(6) . . ?
C51 N4 C57 122.6(7) . . ?
N3 N4 C57 113.1(6) . . ?
C62 N5 N6 123.2(6) . . ?
C62 N5 C64 122.7(6) . . ?
N6 N5 C64 114.0(6) . . ?
C66 N6 N5 114.8(6) . . ?
C62 N7 N8 123.9(6) . . ?
C62 N7 C60 120.9(6) . . ?
N8 N7 C60 114.9(5) . . ?
C66 N8 N7 114.2(6) . . ?
C67 N9 C71 117.5(6) . . ?
C67 N9 Cu1 120.0(5) . . ?
C71 N9 Cu1 122.5(5) . . ?
C72 N10 C76 117.7(6) . . ?
C72 N10 Cu1 123.6(5) . . ?
C76 N10 Cu1 118.6(5) . . ?
C77 N11 N12 114.1(5) . . ?
C84 N12 N11 123.4(6) . . ?
C84 N12 C82 120.1(6) . . ?
N11 N12 C82 116.2(5) . . ?
C84 N13 N14 124.2(6) . . ?
C84 N13 C79 122.3(6) . . ?
N14 N13 C79 113.5(6) . . ?
C77 N14 N13 114.0(6) . . ?
C85 N15 N16 123.7(6) . . ?
C85 N15 C90 121.3(6) . . ?
N16 N15 C90 114.3(6) . . ?
C92 N16 N15 114.6(6) . . ?
C92 N17 N18 114.4(6) . . ?
N17 N18 C85 123.0(6) . . ?
N17 N18 C87 115.2(6) . . ?
C85 N18 C87 121.4(6) . . ?
C97 N19 C93 119.1(6) . . ?
C97 N19 Cu2 122.3(5) . . ?
C93 N19 Cu2 118.6(5) . . ?
C98 N20 C102 119.6(7) . . ?
C98 N20 Cu2 120.3(5) . . ?
C102 N20 Cu2 120.0(5) . . ?
C2 O1 Cu2 118.4(4) . . ?
C4 O2 Cu2 124.5(5) . . ?
C7 O3 Cu2 125.1(5) . . ?
C9 O4 Cu2 120.8(4) . . ?
C14 O5 Tb2 134.0(7) . . ?
C12 O6 Tb2 135.5(6) . . ?
C17 O7 Tb2 136.1(6) . . ?
C19 O8 Tb2 138.2(5) . . ?
C22 O9 Tb2 137.2(5) . . ?
C24 O10 Tb2 136.0(6) . . ?
C27 O11 Cu1 122.5(5) . . ?
C29 O12 Cu1 126.0(5) . . ?
C34 O13 Cu1 121.4(6) . . ?
C32 O14 Cu1 124.3(5) . . ?
C39 O15 Tb1 138.1(5) . . ?
C37 O16 Tb1 134.9(5) . . ?
C44 O17 Tb1 136.6(6) . . ?
C42 O18 Tb1 136.4(5) . . ?
C47 O19 Tb1 136.2(6) . . ?
C49 O20 Tb1 132.2(6) . . ?
C51 O21 Tb1 140.3(5) . . ?
C62 O22 Tb1 174.6(6) . . ?
C84 O23 Tb2 159.4(5) . . ?
C85 O24 Tb2 144.3(5) . . ?
O22 Tb1 O19 146.9(2) . . ?
O22 Tb1 O18 95.35(18) . . ?
O19 Tb1 O18 77.87(19) . . ?
O22 Tb1 O21 143.6(2) . . ?
O19 Tb1 O21 69.5(2) . . ?
O18 Tb1 O21 96.10(18) . . ?
O22 Tb1 O15 90.61(18) . . ?
O19 Tb1 O15 76.37(19) . . ?
O18 Tb1 O15 141.03(18) . . ?
O21 Tb1 O15 101.61(18) . . ?
O22 Tb1 O17 75.8(2) . . ?
O19 Tb1 O17 129.6(2) . . ?
O18 Tb1 O17 70.97(18) . . ?
O21 Tb1 O17 75.54(18) . . ?
O15 Tb1 O17 147.16(18) . . ?
O22 Tb1 O16 80.0(2) . . ?
O19 Tb1 O16 121.96(19) . . ?
O18 Tb1 O16 148.46(18) . . ?
O21 Tb1 O16 72.29(19) . . ?
O15 Tb1 O16 70.50(17) . . ?
O17 Tb1 O16 77.68(17) . . ?
O22 Tb1 O20 73.7(2) . . ?
O19 Tb1 O20 73.3(2) . . ?
O18 Tb1 O20 72.66(18) . . ?
O21 Tb1 O20 142.7(2) . . ?
O15 Tb1 O20 72.22(17) . . ?
O17 Tb1 O20 129.30(17) . . ?
O16 Tb1 O20 133.58(19) . . ?
O6 Tb2 O9 77.4(2) . . ?
O6 Tb2 O23 145.42(19) . . ?
O9 Tb2 O23 96.32(18) . . ?
O6 Tb2 O8 125.13(19) . . ?
O9 Tb2 O8 145.45(19) . . ?
O23 Tb2 O8 78.50(18) . . ?
O6 Tb2 O5 73.1(2) . . ?
O9 Tb2 O5 75.06(19) . . ?
O23 Tb2 O5 72.4(2) . . ?
O8 Tb2 O5 132.92(18) . . ?
O6 Tb2 O24 69.05(19) . . ?
O9 Tb2 O24 90.23(17) . . ?
O23 Tb2 O24 145.50(19) . . ?
O8 Tb2 O24 77.10(17) . . ?
O5 Tb2 O24 141.6(2) . . ?
O6 Tb2 O7 76.94(19) . . ?
O9 Tb2 O7 143.79(19) . . ?
O23 Tb2 O7 90.60(18) . . ?
O8 Tb2 O7 70.76(18) . . ?
O5 Tb2 O7 73.32(19) . . ?
O24 Tb2 O7 103.82(18) . . ?
O6 Tb2 O10 128.75(19) . . ?
O9 Tb2 O10 71.20(19) . . ?
O23 Tb2 O10 78.54(19) . . ?
O8 Tb2 O10 74.30(18) . . ?
O5 Tb2 O10 132.1(2) . . ?
O24 Tb2 O10 71.63(19) . . ?
O7 Tb2 O10 144.83(18) . . ?

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
F3 C1 C2 O1 176.2(9) . . . . ?
F2 C1 C2 O1 47.3(13) . . . . ?
F1 C1 C2 O1 -66.5(10) . . . . ?
F3 C1 C2 C3 -5.4(14) . . . . ?
F2 C1 C2 C3 -134.2(10) . . . . ?
F1 C1 C2 C3 112.0(10) . . . . ?
O1 C2 C3 C4 -1.1(14) . . . . ?
C1 C2 C3 C4 -179.2(8) . . . . ?
C2 C3 C4 O2 -0.5(13) . . . . ?
C2 C3 C4 C5 -179.3(7) . . . . ?
O2 C4 C5 F6 171.0(7) . . . . ?
C3 C4 C5 F6 -10.0(11) . . . . ?
O2 C4 C5 F5 -68.0(8) . . . . ?
C3 C4 C5 F5 111.0(8) . . . . ?
O2 C4 C5 F4 50.4(9) . . . . ?
C3 C4 C5 F4 -130.6(8) . . . . ?
F8 C6 C7 O3 -49.6(11) . . . . ?
F9 C6 C7 O3 71.3(10) . . . . ?
F7 C6 C7 O3 -169.9(8) . . . . ?
F8 C6 C7 C8 132.0(9) . . . . ?
F9 C6 C7 C8 -107.2(10) . . . . ?
F7 C6 C7 C8 11.6(12) . . . . ?
O3 C7 C8 C9 2.9(15) . . . . ?
C6 C7 C8 C9 -179.0(8) . . . . ?
C7 C8 C9 O4 1.2(14) . . . . ?
C7 C8 C9 C10 -178.5(8) . . . . ?
O4 C9 C10 F11 -64.1(10) . . . . ?
C8 C9 C10 F11 115.7(9) . . . . ?
O4 C9 C10 F10 173.3(7) . . . . ?
C8 C9 C10 F10 -6.9(12) . . . . ?
O4 C9 C10 F12 53.7(9) . . . . ?
C8 C9 C10 F12 -126.4(8) . . . . ?
F13 C11 C12 O6 171.1(10) . . . . ?
F14 C11 C12 O6 -64.2(14) . . . . ?
F15 C11 C12 O6 51.3(14) . . . . ?
F13 C11 C12 C13 -12.9(16) . . . . ?
F14 C11 C12 C13 111.8(13) . . . . ?
F15 C11 C12 C13 -132.7(12) . . . . ?
O6 C12 C13 C14 2.5(17) . . . . ?
C11 C12 C13 C14 -172.9(10) . . . . ?
C12 C13 C14 O5 -0.4(18) . . . . ?
C12 C13 C14 C15 179.4(11) . . . . ?
O5 C14 C15 F18 -55.9(18) . . . . ?
C13 C14 C15 F18 124.2(14) . . . . ?
O5 C14 C15 F16 178.5(13) . . . . ?
C13 C14 C15 F16 -1(2) . . . . ?
O5 C14 C15 F17 61.4(15) . . . . ?
C13 C14 C15 F17 -118.5(14) . . . . ?
F21 C16 C17 O7 43.7(12) . . . . ?
F20 C16 C17 O7 167.5(9) . . . . ?
F19 C16 C17 O7 -75.1(11) . . . . ?
F21 C16 C17 C18 -135.1(9) . . . . ?
F20 C16 C17 C18 -11.3(14) . . . . ?
F19 C16 C17 C18 106.2(10) . . . . ?
O7 C17 C18 C19 2.1(14) . . . . ?
C16 C17 C18 C19 -179.4(8) . . . . ?
C17 C18 C19 O8 -0.5(13) . . . . ?
C17 C18 C19 C20 177.7(9) . . . . ?
O8 C19 C20 F23 -47.1(14) . . . . ?
C18 C19 C20 F23 134.5(11) . . . . ?
O8 C19 C20 F24 -167.4(8) . . . . ?
C18 C19 C20 F24 14.2(14) . . . . ?
O8 C19 C20 F22 71.2(10) . . . . ?
C18 C19 C20 F22 -107.1(11) . . . . ?
F27 C21 C22 O9 -75.3(12) . . . . ?
F25 C21 C22 O9 43.4(13) . . . . ?
F26 C21 C22 O9 161.5(9) . . . . ?
F27 C21 C22 C23 104.1(12) . . . . ?
F25 C21 C22 C23 -137.2(10) . . . . ?
F26 C21 C22 C23 -19.2(14) . . . . ?
O9 C22 C23 C24 -0.6(14) . . . . ?
C21 C22 C23 C24 -179.9(9) . . . . ?
C22 C23 C24 O10 -1.6(14) . . . . ?
C22 C23 C24 C25 178.2(9) . . . . ?
O10 C24 C25 F30 102.8(11) . . . . ?
C23 C24 C25 F30 -77.0(12) . . . . ?
O10 C24 C25 F29 -20.8(14) . . . . ?
C23 C24 C25 F29 159.3(10) . . . . ?
O10 C24 C25 F28 -135.8(9) . . . . ?
C23 C24 C25 F28 44.3(13) . . . . ?
F31 C26 C27 O11 -175.2(11) . . . . ?
F32 C26 C27 O11 -52.5(12) . . . . ?
F33 C26 C27 O11 61.4(11) . . . . ?
F31 C26 C27 C28 4.5(16) . . . . ?
F32 C26 C27 C28 127.2(10) . . . . ?
F33 C26 C27 C28 -118.9(10) . . . . ?
O11 C27 C28 C29 0.2(16) . . . . ?
C26 C27 C28 C29 -179.4(9) . . . . ?
C27 C28 C29 O12 -4.6(15) . . . . ?
C27 C28 C29 C30 171.9(9) . . . . ?
O12 C29 C30 F36 -47.1(12) . . . . ?
C28 C29 C30 F36 135.8(10) . . . . ?
O12 C29 C30 F34 73.2(11) . . . . ?
C28 C29 C30 F34 -103.8(12) . . . . ?
O12 C29 C30 F35 -168.5(8) . . . . ?
C28 C29 C30 F35 14.5(13) . . . . ?
F37 C31 C32 O14 56.9(11) . . . . ?
F38 C31 C32 O14 178.2(8) . . . . ?
F39 C31 C32 O14 -62.0(10) . . . . ?
F37 C31 C32 C33 -125.8(9) . . . . ?
F38 C31 C32 C33 -4.5(12) . . . . ?
F39 C31 C32 C33 115.3(9) . . . . ?
O14 C32 C33 C34 8.8(14) . . . . ?
C31 C32 C33 C34 -168.0(8) . . . . ?
C32 C33 C34 O13 -1.8(14) . . . . ?
C32 C33 C34 C35 177.9(9) . . . . ?
O13 C34 C35 F42 177.4(12) . . . . ?
C33 C34 C35 F42 -2.3(17) . . . . ?
O13 C34 C35 F40 -53.3(15) . . . . ?
C33 C34 C35 F40 127.1(11) . . . . ?
O13 C34 C35 F41 58.4(12) . . . . ?
C33 C34 C35 F41 -121.3(10) . . . . ?
F45 C36 C37 O16 56.2(13) . . . . ?
F43 C36 C37 O16 -173.6(11) . . . . ?
F44 C36 C37 O16 -61.9(13) . . . . ?
F45 C36 C37 C38 -124.7(10) . . . . ?
F43 C36 C37 C38 5.6(17) . . . . ?
F44 C36 C37 C38 117.3(11) . . . . ?
O16 C37 C38 C39 0.8(14) . . . . ?
C36 C37 C38 C39 -178.2(9) . . . . ?
C37 C38 C39 O15 3.7(14) . . . . ?
C37 C38 C39 C40 -179.4(8) . . . . ?
O15 C39 C40 F47 -171.0(9) . . . . ?
C38 C39 C40 F47 11.7(14) . . . . ?
O15 C39 C40 F46 65.9(10) . . . . ?
C38 C39 C40 F46 -111.4(10) . . . . ?
O15 C39 C40 F48 -49.3(12) . . . . ?
C38 C39 C40 F48 133.4(9) . . . . ?
F51 C41 C42 O18 86.3(9) . . . . ?
F49 C41 C42 O18 -34.1(10) . . . . ?
F50 C41 C42 O18 -153.5(7) . . . . ?
F51 C41 C42 C43 -90.2(10) . . . . ?
F49 C41 C42 C43 149.3(8) . . . . ?
F50 C41 C42 C43 29.9(11) . . . . ?
O18 C42 C43 C44 -0.5(14) . . . . ?
C41 C42 C43 C44 175.4(8) . . . . ?
C42 C43 C44 O17 2.5(14) . . . . ?
C42 C43 C44 C45 179.6(8) . . . . ?
O17 C44 C45 F54' 27(2) . . . . ?
C43 C44 C45 F54' -151(2) . . . . ?
O17 C44 C45 F54 -29.5(14) . . . . ?
C43 C44 C45 F54 153.0(12) . . . . ?
O17 C44 C45 F53' -94(2) . . . . ?
C43 C44 C45 F53' 89(2) . . . . ?
O17 C44 C45 F53 -152.4(12) . . . . ?
C43 C44 C45 F53 30.1(15) . . . . ?
O17 C44 C45 F52' 148(2) . . . . ?
C43 C44 C45 F52' -29(2) . . . . ?
O17 C44 C45 F52 89.0(13) . . . . ?
C43 C44 C45 F52 -88.4(13) . . . . ?
F55 C46 C47 O19 -171.0(9) . . . . ?
F56 C46 C47 O19 -47.4(14) . . . . ?
F57 C46 C47 O19 68.6(14) . . . . ?
F55 C46 C47 C48 12.0(15) . . . . ?
F56 C46 C47 C48 135.5(12) . . . . ?
F57 C46 C47 C48 -108.4(13) . . . . ?
O19 C47 C48 C49 1.4(18) . . . . ?
C46 C47 C48 C49 178.0(10) . . . . ?
C47 C48 C49 O20 1.7(18) . . . . ?
C47 C48 C49 C50 -178.0(11) . . . . ?
O20 C49 C50 F59 -176.2(12) . . . . ?
C48 C49 C50 F59 4(2) . . . . ?
O20 C49 C50 F60 -49.3(15) . . . . ?
C48 C49 C50 F60 130.4(14) . . . . ?
O20 C49 C50 F58 67.8(16) . . . . ?
C48 C49 C50 F58 -112.4(13) . . . . ?
N9 C67 C68 C69 -0.7(12) . . . . ?
N9 C67 C68 C66 -178.1(7) . . . . ?
N8 C66 C68 C67 175.7(7) . . . . ?
N6 C66 C68 C67 -4.2(11) . . . . ?
N8 C66 C68 C69 -1.6(11) . . . . ?
N6 C66 C68 C69 178.5(7) . . . . ?
C67 C68 C69 C70 1.8(13) . . . . ?
C66 C68 C69 C70 179.2(8) . . . . ?
C68 C69 C70 C71 -1.2(14) . . . . ?
C69 C70 C71 N9 -0.6(15) . . . . ?
N10 C72 C73 C74 0.5(13) . . . . ?
C72 C73 C74 C75 0.9(13) . . . . ?
C73 C74 C75 C76 -0.4(11) . . . . ?
C73 C74 C75 C77 -179.6(7) . . . . ?
C74 C75 C76 N10 -1.5(11) . . . . ?
C77 C75 C76 N10 177.7(6) . . . . ?
C74 C75 C77 N11 -8.6(11) . . . . ?
C76 C75 C77 N11 172.2(7) . . . . ?
C74 C75 C77 N14 173.1(7) . . . . ?
C76 C75 C77 N14 -6.1(10) . . . . ?
N19 C93 C94 C95 -1.6(11) . . . . ?
N19 C93 C94 C92 -177.2(6) . . . . ?
N16 C92 C94 C93 2.6(10) . . . . ?
N17 C92 C94 C93 -179.5(7) . . . . ?
N16 C92 C94 C95 -172.9(7) . . . . ?
N17 C92 C94 C95 5.0(11) . . . . ?
C93 C94 C95 C96 0.7(12) . . . . ?
C92 C94 C95 C96 176.1(7) . . . . ?
C94 C95 C96 C97 0.4(12) . . . . ?
C95 C96 C97 N19 -0.5(13) . . . . ?
N20 C98 C99 C100 -1.7(12) . . . . ?
N20 C98 C99 C52 177.1(7) . . . 1_574 ?
C98 C99 C100 C101 -0.9(12) . . . . ?
C52 C99 C100 C101 -179.7(8) 1_574 . . . ?
C99 C100 C101 C102 1.7(13) . . . . ?
C100 C101 C102 N20 -0.1(13) . . . . ?
C103 C104 C105 C106 -179.1(17) . . . . ?
C104 C105 C106 C107 174.1(17) . . . . ?
C105 C106 C107 C108 -174.2(15) . . . . ?
C106 C107 C108 C109 175.3(16) . . . . ?
O21 C51 N1 N2 -177.9(7) . . . . ?
N4 C51 N1 N2 1.1(12) . . . . ?
O21 C51 N1 C54 -2.2(12) . . . . ?
N4 C51 N1 C54 176.8(7) . . . . ?
C53 C54 N1 C51 124.3(9) . . . . ?
C55 C54 N1 C51 -110.7(10) . . . . ?
C53 C54 N1 N2 -59.6(9) . . . . ?
C55 C54 N1 N2 65.3(10) . . . . ?
N3 C52 N2 N1 0.0(13) . . . . ?
C99 C52 N2 N1 177.2(7) 1_536 . . . ?
C51 N1 N2 C52 -0.6(12) . . . . ?
C54 N1 N2 C52 -176.6(7) . . . . ?
N2 C52 N3 N4 0.2(13) . . . . ?
C99 C52 N3 N4 -177.1(7) 1_536 . . . ?
O21 C51 N4 N3 178.0(8) . . . . ?
N1 C51 N4 N3 -0.9(13) . . . . ?
O21 C51 N4 C57 -0.8(14) . . . . ?
N1 C51 N4 C57 -179.7(8) . . . . ?
C52 N3 N4 C51 0.3(12) . . . . ?
C52 N3 N4 C57 179.2(8) . . . . ?
C58 C57 N4 C51 115.0(10) . . . . ?
C56 C57 N4 C51 -119.2(9) . . . . ?
C58 C57 N4 N3 -63.9(12) . . . . ?
C56 C57 N4 N3 61.8(9) . . . . ?
O22 C62 N5 N6 -177.0(8) . . . . ?
N7 C62 N5 N6 5.1(12) . . . . ?
O22 C62 N5 C64 -0.1(13) . . . . ?
N7 C62 N5 C64 -177.9(8) . . . . ?
C65 C64 N5 C62 -111.4(9) . . . . ?
C63 C64 N5 C62 122.1(9) . . . . ?
C65 C64 N5 N6 65.8(10) . . . . ?
C63 C64 N5 N6 -60.7(10) . . . . ?
N8 C66 N6 N5 0.1(12) . . . . ?
C68 C66 N6 N5 -179.9(7) . . . . ?
C62 N5 N6 C66 -3.1(12) . . . . ?
C64 N5 N6 C66 179.7(7) . . . . ?
O22 C62 N7 N8 177.7(7) . . . . ?
N5 C62 N7 N8 -4.5(11) . . . . ?
O22 C62 N7 C60 4.3(11) . . . . ?
N5 C62 N7 C60 -177.8(7) . . . . ?
C61 C60 N7 C62 -140.2(8) . . . . ?
C59 C60 N7 C62 96.4(8) . . . . ?
C61 C60 N7 N8 45.9(10) . . . . ?
C59 C60 N7 N8 -77.6(8) . . . . ?
N6 C66 N8 N7 0.5(12) . . . . ?
C68 C66 N8 N7 -179.5(6) . . . . ?
C62 N7 N8 C66 1.8(10) . . . . ?
C60 N7 N8 C66 175.5(6) . . . . ?
C68 C67 N9 C71 -1.1(11) . . . . ?
C68 C67 N9 Cu1 -179.8(6) . . . . ?
C70 C71 N9 C67 1.8(13) . . . . ?
C70 C71 N9 Cu1 -179.6(7) . . . . ?
C73 C72 N10 C76 -2.3(11) . . . . ?
C73 C72 N10 Cu1 174.1(6) . . . . ?
C75 C76 N10 C72 2.8(11) . . . . ?
C75 C76 N10 Cu1 -173.8(5) . . . . ?
N14 C77 N11 N12 -3.9(12) . . . . ?
C75 C77 N11 N12 178.1(6) . . . . ?
O23 C84 N12 N11 172.9(7) . . . . ?
N13 C84 N12 N11 -4.6(11) . . . . ?
O23 C84 N12 C82 -1.3(11) . . . . ?
N13 C84 N12 C82 -178.8(7) . . . . ?
C77 N11 N12 C84 6.4(10) . . . . ?
C77 N11 N12 C82 -179.2(6) . . . . ?
C81 C82 N12 C84 -145.6(8) . . . . ?
C83 C82 N12 C84 89.2(8) . . . . ?
C81 C82 N12 N11 39.8(10) . . . . ?
C83 C82 N12 N11 -85.4(8) . . . . ?
O23 C84 N13 N14 -177.5(7) . . . . ?
N12 C84 N13 N14 -0.1(11) . . . . ?
O23 C84 N13 C79 2.0(12) . . . . ?
N12 C84 N13 C79 179.5(7) . . . . ?
C80 C79 N13 C84 -115.0(8) . . . . ?
C78 C79 N13 C84 119.6(8) . . . . ?
C80 C79 N13 N14 64.7(9) . . . . ?
C78 C79 N13 N14 -60.8(9) . . . . ?
N11 C77 N14 N13 -0.2(12) . . . . ?
C75 C77 N14 N13 177.8(6) . . . . ?
C84 N13 N14 C77 2.4(11) . . . . ?
C79 N13 N14 C77 -177.2(7) . . . . ?
O24 C85 N15 N16 -173.1(7) . . . . ?
N18 C85 N15 N16 7.3(11) . . . . ?
O24 C85 N15 C90 -3.0(12) . . . . ?
N18 C85 N15 C90 177.4(7) . . . . ?
C89 C90 N15 C85 134.9(9) . . . . ?
C91 C90 N15 C85 -99.5(10) . . . . ?
C89 C90 N15 N16 -54.2(10) . . . . ?
C91 C90 N15 N16 71.5(10) . . . . ?
N17 C92 N16 N15 0.8(12) . . . . ?
C94 C92 N16 N15 178.4(6) . . . . ?
C85 N15 N16 C92 -4.5(11) . . . . ?
C90 N15 N16 C92 -175.2(7) . . . . ?
N16 C92 N17 N18 -0.3(11) . . . . ?
C94 C92 N17 N18 -177.9(6) . . . . ?
C92 N17 N18 C85 3.4(10) . . . . ?
C92 N17 N18 C87 176.6(7) . . . . ?
O24 C85 N18 N17 173.6(7) . . . . ?
N15 C85 N18 N17 -6.7(10) . . . . ?
O24 C85 N18 C87 0.9(11) . . . . ?
N15 C85 N18 C87 -179.5(7) . . . . ?
C88 C87 N18 N17 -73.3(9) . . . . ?
C86 C87 N18 N17 52.0(10) . . . . ?
C88 C87 N18 C85 100.0(9) . . . . ?
C86 C87 N18 C85 -134.7(8) . . . . ?
C96 C97 N19 C93 -0.4(11) . . . . ?
C96 C97 N19 Cu2 -177.1(6) . . . . ?
C94 C93 N19 C97 1.5(11) . . . . ?
C94 C93 N19 Cu2 178.3(5) . . . . ?
C99 C98 N20 C102 3.4(11) . . . . ?
C99 C98 N20 Cu2 -175.4(6) . . . . ?
C101 C102 N20 C98 -2.4(11) . . . . ?
C101 C102 N20 Cu2 176.3(6) . . . . ?
C3 C2 O1 Cu2 -13.7(11) . . . . ?
C1 C2 O1 Cu2 164.5(6) . . . . ?
C3 C4 O2 Cu2 19.6(11) . . . . ?
C5 C4 O2 Cu2 -161.6(5) . . . . ?
C8 C7 O3 Cu2 -13.1(12) . . . . ?
C6 C7 O3 Cu2 168.7(5) . . . . ?
C8 C9 O4 Cu2 4.8(11) . . . . ?
C10 C9 O4 Cu2 -175.5(5) . . . . ?
C13 C14 O5 Tb2 -0.3(16) . . . . ?
C15 C14 O5 Tb2 179.8(8) . . . . ?
C13 C12 O6 Tb2 -3.8(15) . . . . ?
C11 C12 O6 Tb2 171.8(7) . . . . ?
C18 C17 O7 Tb2 -3.7(14) . . . . ?
C16 C17 O7 Tb2 177.6(6) . . . . ?
C18 C19 O8 Tb2 0.6(13) . . . . ?
C20 C19 O8 Tb2 -177.6(7) . . . . ?
C23 C22 O9 Tb2 -5.8(14) . . . . ?
C21 C22 O9 Tb2 173.5(6) . . . . ?
C23 C24 O10 Tb2 9.9(14) . . . . ?
C25 C24 O10 Tb2 -169.9(6) . . . . ?
C28 C27 O11 Cu1 2.9(13) . . . . ?
C26 C27 O11 Cu1 -177.5(6) . . . . ?
C28 C29 O12 Cu1 4.5(12) . . . . ?
C30 C29 O12 Cu1 -172.1(6) . . . . ?
C33 C34 O13 Cu1 -19.1(12) . . . . ?
C35 C34 O13 Cu1 161.3(7) . . . . ?
C33 C32 O14 Cu1 8.6(12) . . . . ?
C31 C32 O14 Cu1 -174.5(5) . . . . ?
C38 C39 O15 Tb1 -0.4(13) . . . . ?
C40 C39 O15 Tb1 -177.4(6) . . . . ?
C38 C37 O16 Tb1 -8.6(14) . . . . ?
C36 C37 O16 Tb1 170.5(7) . . . . ?
C43 C44 O17 Tb1 -4.4(14) . . . . ?
C45 C44 O17 Tb1 178.4(6) . . . . ?
C43 C42 O18 Tb1 0.4(13) . . . . ?
C41 C42 O18 Tb1 -175.8(5) . . . . ?
C48 C47 O19 Tb1 0.1(16) . . . . ?
C46 C47 O19 Tb1 -176.6(7) . . . . ?
C48 C49 O20 Tb1 -6.0(16) . . . . ?
C50 C49 O20 Tb1 173.7(8) . . . . ?
N4 C51 O21 Tb1 88.9(10) . . . . ?
N1 C51 O21 Tb1 -92.2(10) . . . . ?
N13 C84 O23 Tb2 -71.9(18) . . . . ?
N12 C84 O23 Tb2 110.8(13) . . . . ?
N15 C85 O24 Tb2 -67.8(11) . . . . ?
N18 C85 O24 Tb2 111.8(8) . . . . ?

_refine_diff_density_max         1.287
_refine_diff_density_min         -1.018
_refine_diff_density_rms         0.091

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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_p130530b
_database_code_depnum_ccdc_archive 'CCDC 997128'
_audit_update_record             
;
2014-12-24 deposited with the CCDC.
2015-02-04 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C109 H98 Cu2 Dy2 F60 N20 O24'
_chemical_formula_weight         3664.15

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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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+1/2, -z'

_cell_length_a                   16.9627(4)
_cell_length_b                   17.4217(3)
_cell_length_c                   25.2082(6)
_cell_angle_alpha                90
_cell_angle_beta                 92.590(2)
_cell_angle_gamma                90
_cell_volume                     7441.9(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    16785
_cell_measurement_theta_min      3.4380
_cell_measurement_theta_max      28.1490

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_F_000             3628
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    1.417
_shelx_estimated_absorpt_T_min   0.765
_shelx_estimated_absorpt_T_max   0.860
_exptl_absorpt_correction_type   multi_scan
_exptl_absorpt_correction_T_min  0.802
_exptl_absorpt_correction_T_max  0.856
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            41886
_diffrn_reflns_av_unetI/netI     0.0865
_diffrn_reflns_av_R_equivalents  0.0406
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.836
_diffrn_reflns_theta_max         29.179
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.856
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.856
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.856
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             27443
_reflns_number_gt                22234
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.938
_reflns_Friedel_fraction_max     0.856
_reflns_Friedel_fraction_full    0.999

_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       CrysAlis
_computing_cell_refinement       CrysAlis
_computing_data_reduction        CrysAlis
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    diamond
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0784P)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_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.705(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         27443
_refine_ls_number_parameters     2001
_refine_ls_number_restraints     725
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0618
_refine_ls_wR_factor_ref         0.1585
_refine_ls_wR_factor_gt          0.1449
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.069
_refine_ls_shift/su_mean         0.002

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
C1 C 0.7819(4) 1.3317(5) 0.0730(2) 0.068(2) Uani 1 1 d . . . . .
C2 C 0.7630(3) 1.3192(3) 0.1304(2) 0.0410(15) Uani 1 1 d . . . . .
C3 C 0.6963(3) 1.2716(3) 0.1404(2) 0.0407(15) Uani 1 1 d . . . . .
H3 H 0.6687 1.2498 0.1114 0.049 Uiso 1 1 calc R U . . .
C4 C 0.6708(3) 1.2565(3) 0.1899(2) 0.0397(15) Uani 1 1 d . . . . .
C5 C 0.5988(4) 1.2062(4) 0.1969(2) 0.0537(18) Uani 1 1 d . . . . .
C6 C 0.9404(4) 1.5350(4) 0.3002(3) 0.066(2) Uani 1 1 d . . . . .
C7 C 0.8719(3) 1.4782(3) 0.3037(3) 0.0459(17) Uani 1 1 d . . . . .
C8 C 0.8392(3) 1.4701(4) 0.3522(3) 0.0566(19) Uani 1 1 d . . . . .
H8 H 0.8592 1.5007 0.3799 0.068 Uiso 1 1 calc R U . . .
C9 C 0.7788(3) 1.4197(3) 0.3630(2) 0.0387(15) Uani 1 1 d . . . . .
C10 C 0.7497(4) 1.4168(5) 0.4212(3) 0.072(2) Uani 1 1 d . . . . .
C11 C 0.8704(5) 1.1219(4) 0.5549(5) 0.128(3) Uani 1 1 d D U . . .
C12 C 0.8228(4) 1.0507(4) 0.5664(4) 0.095(3) Uani 1 1 d D U . . .
C13 C 0.8076(5) 1.0334(6) 0.6171(4) 0.101(3) Uani 1 1 d . U . . .
H13 H 0.8222 1.0696 0.6429 0.121 Uiso 1 1 calc R U . . .
C14 C 0.7730(6) 0.9682(6) 0.6341(3) 0.114(3) Uani 1 1 d D U . . .
C15 C 0.7644(9) 0.9537(9) 0.6931(3) 0.186(4) Uani 1 1 d D U . . .
C16 C 0.5177(5) 1.0410(5) 0.5310(3) 0.080(2) Uani 1 1 d . U . . .
C17 C 0.5691(3) 0.9805(4) 0.5052(3) 0.0508(17) Uani 1 1 d . U . . .
C18 C 0.5372(4) 0.9401(4) 0.4633(3) 0.065(2) Uani 1 1 d . U . . .
H18 H 0.4857 0.9503 0.4512 0.078 Uiso 1 1 calc R U . . .
C19 C 0.5793(4) 0.8846(4) 0.4384(3) 0.063(2) Uani 1 1 d . U . . .
C20 C 0.5372(5) 0.8439(7) 0.3922(4) 0.111(3) Uani 1 1 d . U . . .
C21 C 1.0041(5) 0.8292(5) 0.5692(4) 0.089(3) Uani 1 1 d . U . . .
C22 C 0.9291(4) 0.8209(4) 0.5350(3) 0.0597(19) Uani 1 1 d . U . . .
C23 C 0.9262(4) 0.7662(4) 0.4966(3) 0.070(2) Uani 1 1 d . U . . .
H23 H 0.9708 0.7364 0.4916 0.084 Uiso 1 1 calc R U . . .
C24 C 0.8599(5) 0.7535(5) 0.4652(3) 0.076(2) Uani 1 1 d . U . . .
C25 C 0.8608(6) 0.6891(6) 0.4196(4) 0.117(3) Uani 1 1 d . U . . .
C26 C 0.8968(5) 0.5349(5) 0.7845(3) 0.080(3) Uani 1 1 d . . . . .
C27 C 0.8313(3) 0.4775(4) 0.7914(3) 0.0492(17) Uani 1 1 d . . . . .
C28 C 0.8132(4) 0.4604(5) 0.8435(3) 0.064(2) Uani 1 1 d . . . . .
H28 H 0.8415 0.4841 0.8714 0.077 Uiso 1 1 calc R U . . .
C29 C 0.7524(4) 0.4075(4) 0.8547(3) 0.0536(18) Uani 1 1 d . . . . .
C30 C 0.7449(5) 0.3893(5) 0.9155(3) 0.101(3) Uani 1 1 d . . . . .
C31 C 0.7191(4) 0.3200(5) 0.5706(3) 0.081(3) Uani 1 1 d . . . . .
C32 C 0.7013(3) 0.3078(3) 0.6297(2) 0.0465(16) Uani 1 1 d . . . . .
C33 C 0.6583(4) 0.2446(4) 0.6445(2) 0.0555(19) Uani 1 1 d . . . . .
H33 H 0.6492 0.2057 0.6197 0.067 Uiso 1 1 calc R U . . .
C34 C 0.6286(4) 0.2362(4) 0.6935(3) 0.062(2) Uani 1 1 d . . . . .
C35 C 0.5812(6) 0.1639(6) 0.7037(4) 0.116(3) Uani 1 1 d . U . . .
C36 C 0.6262(6) 0.0306(6) 1.0810(4) 0.112(3) Uani 1 1 d . U . . .
C37 C 0.6267(4) -0.0261(4) 1.0333(3) 0.076(2) Uani 1 1 d . U . . .
C38 C 0.5580(4) -0.0419(4) 1.0057(3) 0.068(2) Uani 1 1 d . U . . .
H38 H 0.5126 -0.0148 1.0131 0.082 Uiso 1 1 calc R U . . .
C39 C 0.5547(3) -0.0971(3) 0.9673(2) 0.0452(15) Uani 1 1 d . U . . .
C40 C 0.4747(4) -0.1123(5) 0.9386(3) 0.075(2) Uani 1 1 d . U . . .
C41 C 0.9681(4) -0.3031(4) 0.9367(4) 0.077(2) Uani 1 1 d . U . . .
C42 C 0.9224(3) -0.2400(4) 0.9671(3) 0.0539(17) Uani 1 1 d . U . . .
C43 C 0.9645(4) -0.1903(4) 1.0003(3) 0.064(2) Uani 1 1 d . U . . .
H43 H 1.0188 -0.1959 1.0055 0.076 Uiso 1 1 calc R U . . .
C44 C 0.9263(4) -0.1328(4) 1.0256(3) 0.070(2) Uani 1 1 d . U . . .
C45 C 0.9787(3) -0.0786(3) 1.0636(2) 0.120(3) Uani 1 1 d D U . . .
C46 C 0.6347(3) -0.4032(3) 0.9734(2) 0.144(4) Uani 1 1 d D U . . .
C47 C 0.6698(4) -0.3314(4) 0.9494(3) 0.090(3) Uani 1 1 d D U . . .
C48 C 0.6664(5) -0.3263(6) 0.8968(4) 0.108(3) Uani 1 1 d . U . . .
H48 H 0.6469 -0.3691 0.8785 0.130 Uiso 1 1 calc R U . . .
C49 C 0.6889(6) -0.2637(7) 0.8651(3) 0.121(3) Uani 1 1 d D U . . .
C50 C 0.6807(8) -0.2504(9) 0.8055(3) 0.179(4) Uani 1 1 d D U . . .
C51 C 0.7092(4) -0.2581(5) 1.0907(2) 0.064(2) Uani 1 1 d . . . . .
C52 C 0.6711(4) -0.3799(4) 1.1506(2) 0.058(2) Uani 1 1 d . . . . .
C53 C 0.5050(5) -0.2403(5) 1.0722(4) 0.113(4) Uani 1 1 d . U . . .
H53A H 0.5204 -0.2683 1.0415 0.169 Uiso 1 1 calc R U . . .
H53B H 0.4684 -0.2007 1.0613 0.169 Uiso 1 1 calc R U . . .
H53C H 0.4803 -0.2746 1.0962 0.169 Uiso 1 1 calc R U . . .
C54 C 0.5746(4) -0.2058(4) 1.0987(3) 0.065(2) Uani 1 1 d . U . . .
H54 H 0.5953 -0.1658 1.0758 0.078 Uiso 1 1 calc R U . . .
C55 C 0.5532(7) -0.1705(7) 1.1503(4) 0.172(5) Uani 1 1 d . U . . .
H55A H 0.5224 -0.2062 1.1697 0.258 Uiso 1 1 calc R U . . .
H55B H 0.5231 -0.1246 1.1434 0.258 Uiso 1 1 calc R U . . .
H55C H 0.6005 -0.1579 1.1709 0.258 Uiso 1 1 calc R U . . .
C56 C 0.8572(5) -0.3876(6) 1.0508(4) 0.120(3) Uani 1 1 d . U . . .
H56A H 0.8694 -0.4312 1.0730 0.180 Uiso 1 1 calc R U . . .
H56B H 0.9003 -0.3781 1.0282 0.180 Uiso 1 1 calc R U . . .
H56C H 0.8102 -0.3978 1.0294 0.180 Uiso 1 1 calc R U . . .
C57 C 0.8444(5) -0.3172(6) 1.0855(3) 0.098(3) Uani 1 1 d . U . . .
H57 H 0.8529 -0.2717 1.0636 0.117 Uiso 1 1 calc R U . . .
C58 C 0.8973(5) -0.3124(8) 1.1309(4) 0.151(5) Uani 1 1 d . U . . .
H58A H 0.8925 -0.2629 1.1471 0.227 Uiso 1 1 calc R U . . .
H58B H 0.9505 -0.3195 1.1203 0.227 Uiso 1 1 calc R U . . .
H58C H 0.8846 -0.3516 1.1559 0.227 Uiso 1 1 calc R U . . .
C59 C 0.9115(6) -0.1174(6) 0.8277(4) 0.136(4) Uani 1 1 d . U . . .
H59A H 0.8561 -0.1271 0.8219 0.204 Uiso 1 1 calc R U . . .
H59B H 0.9388 -0.1652 0.8336 0.204 Uiso 1 1 calc R U . . .
H59C H 0.9314 -0.0924 0.7971 0.204 Uiso 1 1 calc R U . . .
C60 C 0.9253(4) -0.0641(4) 0.8780(3) 0.0602(18) Uani 1 1 d . U . . .
H60 H 0.9158 -0.0936 0.9102 0.072 Uiso 1 1 calc R U . . .
C61 C 1.0093(5) -0.0390(6) 0.8791(4) 0.119(4) Uani 1 1 d . U . . .
H61A H 1.0264 -0.0348 0.8435 0.178 Uiso 1 1 calc R U . . .
H61B H 1.0414 -0.0759 0.8983 0.178 Uiso 1 1 calc R U . . .
H61C H 1.0141 0.0101 0.8964 0.178 Uiso 1 1 calc R U . . .
C62 C 0.7994(3) -0.0049(3) 0.8958(3) 0.062(2) Uani 1 1 d . . . . .
C63 C 0.6785(6) 0.1391(6) 0.9561(5) 0.137(5) Uani 1 1 d . . . . .
H63A H 0.7281 0.1382 0.9759 0.205 Uiso 1 1 calc R U . . .
H63B H 0.6362 0.1380 0.9801 0.205 Uiso 1 1 calc R U . . .
H63C H 0.6749 0.1851 0.9351 0.205 Uiso 1 1 calc R U . . .
C64 C 0.6722(5) 0.0663(5) 0.9181(4) 0.090(3) Uani 1 1 d . U . . .
H64 H 0.6645 0.0209 0.9402 0.108 Uiso 1 1 calc R U . . .
C65 C 0.6070(4) 0.0710(6) 0.8803(3) 0.088(3) Uani 1 1 d . U . . .
H65A H 0.6114 0.1170 0.8597 0.131 Uiso 1 1 calc R U . . .
H65B H 0.5586 0.0721 0.8986 0.131 Uiso 1 1 calc R U . . .
H65C H 0.6073 0.0272 0.8573 0.131 Uiso 1 1 calc R U . . .
C66 C 0.8312(3) 0.1083(3) 0.8303(2) 0.0463(16) Uani 1 1 d . . . . .
C67 C 0.7915(3) 0.2287(3) 0.7847(2) 0.0410(15) Uani 1 1 d . . . . .
H67 H 0.7442 0.2251 0.8018 0.049 Uiso 1 1 calc R U . . .
C68 C 0.8485(3) 0.1737(3) 0.7946(2) 0.0422(15) Uani 1 1 d . . . . .
C69 C 0.9193(3) 0.1761(3) 0.7697(3) 0.0557(18) Uani 1 1 d . . . . .
H69 H 0.9584 0.1393 0.7757 0.067 Uiso 1 1 calc R U . . .
C70 C 0.9288(4) 0.2400(4) 0.7335(3) 0.070(2) Uani 1 1 d . . . . .
H70 H 0.9747 0.2450 0.7149 0.084 Uiso 1 1 calc R U . . .
C71 C 0.8713(3) 0.2909(4) 0.7272(2) 0.0532(17) Uani 1 1 d . . . . .
H71 H 0.8798 0.3320 0.7047 0.064 Uiso 1 1 calc R U . . .
C72 C 0.5702(3) 0.4524(3) 0.7575(2) 0.0486(16) Uani 1 1 d . . . . .
H72 H 0.5589 0.4114 0.7795 0.058 Uiso 1 1 calc R U . . .
C73 C 0.5172(4) 0.5142(3) 0.7532(2) 0.0518(17) Uani 1 1 d . . . . .
H73 H 0.4719 0.5143 0.7727 0.062 Uiso 1 1 calc R U . . .
C74 C 0.5323(3) 0.5738(3) 0.7204(2) 0.0408(15) Uani 1 1 d . . . . .
H74 H 0.4977 0.6150 0.7171 0.049 Uiso 1 1 calc R U . . .
C75 C 0.6005(3) 0.5719(3) 0.6919(2) 0.0366(14) Uani 1 1 d . . . . .
C76 C 0.6500(3) 0.5103(3) 0.6979(2) 0.0374(14) Uani 1 1 d . . . . .
H76 H 0.6951 0.5089 0.6783 0.045 Uiso 1 1 calc R U . . .
C77 C 0.6217(3) 0.6354(3) 0.6553(2) 0.0376(14) Uani 1 1 d . . . . .
C78 C 0.8521(4) 0.6627(5) 0.6173(3) 0.089(3) Uani 1 1 d . . . . .
H78A H 0.8535 0.7087 0.6383 0.134 Uiso 1 1 calc R U . . .
H78B H 0.9017 0.6564 0.6009 0.134 Uiso 1 1 calc R U . . .
H78C H 0.8426 0.6193 0.6396 0.134 Uiso 1 1 calc R U . . .
C79 C 0.7877(4) 0.6687(4) 0.5753(3) 0.067(2) Uani 1 1 d . . . . .
H79 H 0.7988 0.7130 0.5529 0.080 Uiso 1 1 calc R U . . .
C80 C 0.7799(4) 0.5952(5) 0.5383(3) 0.090(3) Uani 1 1 d . . . . .
H80A H 0.8236 0.5613 0.5461 0.136 Uiso 1 1 calc R U . . .
H80B H 0.7801 0.6106 0.5018 0.136 Uiso 1 1 calc R U . . .
H80C H 0.7314 0.5691 0.5447 0.136 Uiso 1 1 calc R U . . .
C81 C 0.5026(5) 0.8334(5) 0.6502(3) 0.110(3) Uani 1 1 d . . . . .
H81A H 0.4731 0.7914 0.6639 0.165 Uiso 1 1 calc R U . . .
H81B H 0.4680 0.8761 0.6431 0.165 Uiso 1 1 calc R U . . .
H81C H 0.5433 0.8482 0.6759 0.165 Uiso 1 1 calc R U . . .
C82 C 0.5383(3) 0.8098(3) 0.6011(2) 0.0510(16) Uani 1 1 d . . . . .
H82 H 0.5674 0.8537 0.5875 0.061 Uiso 1 1 calc R U . . .
C83 C 0.4789(4) 0.7864(5) 0.5602(4) 0.088(3) Uani 1 1 d . . . . .
H83A H 0.5048 0.7679 0.5296 0.132 Uiso 1 1 calc R U . . .
H83B H 0.4463 0.8296 0.5504 0.132 Uiso 1 1 calc R U . . .
H83C H 0.4468 0.7463 0.5740 0.132 Uiso 1 1 calc R U . . .
C84 C 0.6650(3) 0.7451(4) 0.5878(2) 0.0508(17) Uani 1 1 d . . . . .
C85 C 0.8238(3) 0.9937(4) 0.4103(2) 0.0471(16) Uani 1 1 d . . . . .
C86 C 1.0274(5) 0.9790(6) 0.4405(5) 0.129(4) Uani 1 1 d . . . . .
H86A H 1.0432 1.0225 0.4202 0.194 Uiso 1 1 calc R U . . .
H86B H 1.0702 0.9430 0.4438 0.194 Uiso 1 1 calc R U . . .
H86C H 1.0135 0.9956 0.4751 0.194 Uiso 1 1 calc R U . . .
C87 C 0.9587(3) 0.9419(4) 0.4133(3) 0.0609(19) Uani 1 1 d . . . . .
H87 H 0.9350 0.9062 0.4381 0.073 Uiso 1 1 calc R U . . .
C88 C 0.9824(5) 0.8968(6) 0.3645(3) 0.134(4) Uani 1 1 d . . . . .
H88A H 0.9360 0.8827 0.3436 0.201 Uiso 1 1 calc R U . . .
H88B H 1.0104 0.8513 0.3757 0.201 Uiso 1 1 calc R U . . .
H88C H 1.0158 0.9281 0.3436 0.201 Uiso 1 1 calc R U . . .
C89 C 0.6619(5) 1.1210(5) 0.4223(4) 0.152(4) Uani 1 1 d . U . . .
H89A H 0.6795 1.1270 0.4588 0.228 Uiso 1 1 calc R U . . .
H89B H 0.6053 1.1214 0.4196 0.228 Uiso 1 1 calc R U . . .
H89C H 0.6819 1.1625 0.4017 0.228 Uiso 1 1 calc R U . . .
C90 C 0.6898(4) 1.0511(5) 0.4029(3) 0.088(2) Uani 1 1 d . U . . .
H90 H 0.6808 1.0119 0.4299 0.105 Uiso 1 1 calc R U . . .
C91 C 0.6447(6) 1.0250(8) 0.3504(4) 0.163(5) Uani 1 1 d . U . . .
H91A H 0.5895 1.0200 0.3566 0.244 Uiso 1 1 calc R U . . .
H91B H 0.6650 0.9764 0.3393 0.244 Uiso 1 1 calc R U . . .
H91C H 0.6519 1.0625 0.3232 0.244 Uiso 1 1 calc R U . . .
C92 C 0.8722(3) 1.1107(3) 0.3517(2) 0.0442(16) Uani 1 1 d . . . . .
C93 C 0.8422(3) 1.2290(3) 0.3028(2) 0.0431(16) Uani 1 1 d . . . . .
H93 H 0.7925 1.2274 0.3169 0.052 Uiso 1 1 calc R U . . .
C94 C 0.8963(3) 1.1729(3) 0.3163(2) 0.0365(14) Uani 1 1 d . . . . .
C95 C 0.9707(3) 1.1767(4) 0.2956(2) 0.0490(17) Uani 1 1 d . . . . .
H95 H 1.0090 1.1402 0.3048 0.059 Uiso 1 1 calc R U . . .
C96 C 0.9866(4) 1.2343(4) 0.2617(3) 0.062(2) Uani 1 1 d . . . . .
H96 H 1.0359 1.2367 0.2470 0.074 Uiso 1 1 calc R U . . .
C97 C 0.9326(3) 1.2881(4) 0.2491(2) 0.0562(19) Uani 1 1 d . . . . .
H97 H 0.9454 1.3274 0.2261 0.067 Uiso 1 1 calc R U . . .
C98 C 0.7052(3) 1.5000(4) 0.1957(2) 0.0469(17) Uani 1 1 d . . . . .
H98 H 0.7539 1.5028 0.1802 0.056 Uiso 1 1 calc R U . . .
C99 C 0.6498(4) 1.5568(4) 0.1843(2) 0.0513(18) Uani 1 1 d . . . . .
C100 C 0.5780(4) 1.5530(4) 0.2059(3) 0.062(2) Uani 1 1 d . . . . .
H100 H 0.5400 1.5907 0.1993 0.074 Uiso 1 1 calc R U . . .
C101 C 0.5638(4) 1.4895(4) 0.2387(3) 0.063(2) Uani 1 1 d . . . . .
H101 H 0.5151 1.4842 0.2537 0.076 Uiso 1 1 calc R U . . .
C102 C 0.6205(3) 1.4361(4) 0.2485(2) 0.0543(18) Uani 1 1 d . . . . .
H102 H 0.6094 1.3945 0.2700 0.065 Uiso 1 1 calc R U . . .
C103 C 0.8433(7) 1.0981(8) 0.1705(6) 0.185(6) Uani 1 1 d . U . . .
H10A H 0.8966 1.0794 0.1732 0.278 Uiso 1 1 calc R U . . .
H10B H 0.8437 1.1532 0.1689 0.278 Uiso 1 1 calc R U . . .
H10C H 0.8172 1.0781 0.1389 0.278 Uiso 1 1 calc R U . . .
C104 C 0.7984(18) 1.0716(18) 0.2202(14) 0.499(6) Uani 1 1 d . U . . .
H10D H 0.7417 1.0794 0.2174 0.599 Uiso 1 1 calc R U . . .
H10E H 0.8212 1.0894 0.2539 0.599 Uiso 1 1 calc R U . . .
C105 C 0.8281(9) 0.9847(9) 0.2018(6) 0.212(5) Uani 1 1 d . U . . .
H10F H 0.8110 0.9711 0.1658 0.255 Uiso 1 1 calc R U . . .
H10G H 0.8844 0.9765 0.2076 0.255 Uiso 1 1 calc R U . . .
C106 C 0.7828(10) 0.9509(4) 0.2406(7) 0.244(5) Uani 1 1 d D U . . .
H10H H 0.7277 0.9648 0.2348 0.292 Uiso 1 1 calc R U . . .
H10I H 0.8005 0.9686 0.2756 0.292 Uiso 1 1 calc R U . . .
C107 C 0.7923(7) 0.8640(4) 0.2369(5) 0.259(5) Uani 1 1 d D U . . .
H10J H 0.8476 0.8527 0.2449 0.310 Uiso 1 1 calc R U . . .
H10K H 0.7814 0.8499 0.2001 0.310 Uiso 1 1 calc R U . . .
C108 C 0.7444(7) 0.8100(4) 0.2707(5) 0.263(5) Uani 1 1 d D U . . .
H10L H 0.6913 0.8297 0.2643 0.316 Uiso 1 1 calc R U . . .
H10M H 0.7597 0.8267 0.3064 0.316 Uiso 1 1 calc R U . . .
C109 C 0.7290(9) 0.7239(4) 0.2790(7) 0.242(6) Uani 1 1 d D U . . .
H10N H 0.6767 0.7114 0.2658 0.364 Uiso 1 1 calc R U . . .
H10O H 0.7343 0.7121 0.3162 0.364 Uiso 1 1 calc R U . . .
H10P H 0.7667 0.6945 0.2602 0.364 Uiso 1 1 calc R U . . .
Cu1 Cu 0.71693(4) 0.36789(4) 0.74026(2) 0.03742(16) Uani 1 1 d . . . . .
Cu2 Cu 0.77629(4) 1.36369(4) 0.24780(2) 0.03935(18) Uani 1 1 d . . . . .
Dy1 Dy 0.74217(2) -0.15946(2) 0.97692(2) 0.03389(6) Uani 1 1 d . . . . .
Dy2 Dy 0.74760(2) 0.89330(2) 0.51476(2) 0.03720(6) Uani 1 1 d . . . . .
F1 F 0.7715(4) 1.4057(4) 0.0603(2) 0.149(3) Uani 1 1 d . U . . .
F2 F 0.8546(2) 1.3195(4) 0.06452(16) 0.125(2) Uani 1 1 d . U . . .
F3 F 0.7382(3) 1.2921(4) 0.03828(16) 0.1115(19) Uani 1 1 d . U . . .
F4 F 0.5457(2) 1.2385(2) 0.22516(17) 0.0757(13) Uani 1 1 d . U . . .
F5 F 0.6184(2) 1.1414(2) 0.2194(2) 0.0895(15) Uani 1 1 d . U . . .
F6 F 0.5624(3) 1.1895(3) 0.15017(17) 0.0904(15) Uani 1 1 d . U . . .
F7 F 0.9673(3) 1.5631(3) 0.3445(2) 0.1425(18) Uani 1 1 d . U . . .
F8 F 1.0008(2) 1.5052(3) 0.27752(18) 0.0934(16) Uani 1 1 d . U . . .
F9 F 0.9202(3) 1.5949(3) 0.2706(3) 0.143(2) Uani 1 1 d . U . . .
F10 F 0.7942(3) 1.4526(3) 0.45611(15) 0.0934(16) Uani 1 1 d . U . . .
F11 F 0.6778(3) 1.4411(4) 0.42167(19) 0.126(2) Uani 1 1 d . U . . .
F12 F 0.7488(3) 1.3460(3) 0.43733(16) 0.1171(19) Uani 1 1 d . U . . .
F13 F 0.8804(6) 1.1682(5) 0.5918(4) 0.251(5) Uani 1 1 d . U . . .
F14 F 0.9399(4) 1.1070(4) 0.5381(4) 0.206(4) Uani 1 1 d . U . . .
F15 F 0.8456(4) 1.1584(4) 0.5097(3) 0.175(3) Uani 1 1 d . U . . .
F16 F 0.7854(7) 1.0168(7) 0.7215(4) 0.296(5) Uani 1 1 d . U . . .
F17 F 0.8002(7) 0.8916(7) 0.7103(4) 0.284(5) Uani 1 1 d . U . . .
F18 F 0.6888(5) 0.9428(7) 0.7014(3) 0.213(4) Uani 1 1 d . U . . .
F19 F 0.4955(3) 1.0161(3) 0.5795(2) 0.124(2) Uani 1 1 d . U . . .
F20 F 0.4554(3) 1.0612(4) 0.5058(3) 0.144(2) Uani 1 1 d . U . . .
F21 F 0.5576(3) 1.1040(3) 0.5431(2) 0.1123(19) Uani 1 1 d . U . . .
F22 F 0.5210(4) 0.7739(4) 0.4070(3) 0.172(3) Uani 1 1 d . U . . .
F23 F 0.5849(4) 0.8369(6) 0.3529(3) 0.205(3) Uani 1 1 d . U . . .
F24 F 0.4768(3) 0.8752(3) 0.3719(2) 0.1199(19) Uani 1 1 d . U . . .
F25 F 0.9933(3) 0.8314(4) 0.62052(19) 0.118(2) Uani 1 1 d . U . . .
F26 F 1.0558(3) 0.7736(5) 0.5656(3) 0.179(3) Uani 1 1 d . U . . .
F27 F 1.0392(3) 0.8951(4) 0.5595(3) 0.184(3) Uani 1 1 d . U . . .
F28 F 0.9016(4) 0.6279(3) 0.4383(3) 0.150(3) Uani 1 1 d . U . . .
F29 F 0.7992(4) 0.6711(4) 0.4019(3) 0.187(3) Uani 1 1 d . U . . .
F30 F 0.9038(5) 0.7178(4) 0.3810(3) 0.207(3) Uani 1 1 d . U . . .
F31 F 0.9356(3) 0.5576(4) 0.8285(2) 0.151(2) Uani 1 1 d . U . . .
F32 F 0.9522(3) 0.5089(4) 0.7559(2) 0.138(2) Uani 1 1 d . U . . .
F33 F 0.8727(3) 0.5978(3) 0.7589(3) 0.125(2) Uani 1 1 d . U . . .
F34 F 0.7795(4) 0.3210(4) 0.9234(2) 0.163(2) Uani 1 1 d . U . . .
F35 F 0.7782(3) 0.4371(4) 0.94681(18) 0.117(2) Uani 1 1 d . U . . .
F36 F 0.6696(3) 0.3819(4) 0.92540(18) 0.1186(18) Uani 1 1 d . U . . .
F37 F 0.7928(3) 0.3302(3) 0.56249(17) 0.0924(15) Uani 1 1 d . U . . .
F38 F 0.7003(3) 0.2584(3) 0.54122(18) 0.118(2) Uani 1 1 d . U . . .
F39 F 0.6787(3) 0.3774(3) 0.55024(17) 0.128(2) Uani 1 1 d . U . . .
F40 F 0.6024(4) 0.1284(3) 0.7457(2) 0.138(2) Uani 1 1 d . U . . .
F41 F 0.5051(4) 0.1899(5) 0.7184(3) 0.190(3) Uani 1 1 d . U . . .
F42 F 0.5703(4) 0.1188(3) 0.6672(3) 0.187(3) Uani 1 1 d . U . . .
F43 F 0.5696(5) 0.0799(5) 1.0702(4) 0.269(4) Uani 1 1 d . U . . .
F44 F 0.6198(6) -0.0013(5) 1.1256(3) 0.229(4) Uani 1 1 d . U . . .
F45 F 0.6846(4) 0.0770(3) 1.0817(3) 0.179(3) Uani 1 1 d . U . . .
F46 F 0.4515(3) -0.1836(3) 0.9454(3) 0.143(2) Uani 1 1 d . U . . .
F47 F 0.4191(3) -0.0720(4) 0.9517(3) 0.179(3) Uani 1 1 d . U . . .
F48 F 0.4788(3) -0.1045(4) 0.88839(19) 0.135(2) Uani 1 1 d . U . . .
F49 F 0.9237(3) -0.3668(3) 0.9339(3) 0.118(2) Uani 1 1 d . U . . .
F50 F 1.0324(3) -0.3236(3) 0.9632(3) 0.136(2) Uani 1 1 d . U . . .
F51 F 0.9845(3) -0.2788(4) 0.8915(2) 0.145(2) Uani 1 1 d . U . . .
F52 F 0.9822(5) -0.1118(4) 1.1106(2) 0.174(5) Uani 0.618(6) 1 d D U P A 1
F53 F 1.0521(3) -0.0710(5) 1.0479(3) 0.131(4) Uani 0.618(6) 1 d D U P A 1
F54 F 0.9505(4) -0.0085(3) 1.0688(3) 0.135(3) Uani 0.618(6) 1 d D U P A 1
F55 F 0.6172(4) -0.4574(3) 0.9394(2) 0.216(4) Uani 1 1 d D U . . .
F56 F 0.6847(3) -0.4290(4) 1.0113(2) 0.227(4) Uani 1 1 d D U . . .
F57 F 0.5697(3) -0.3841(3) 0.9976(3) 0.221(4) Uani 1 1 d D U . . .
F58 F 0.7564(5) -0.2490(6) 0.7862(3) 0.207(4) Uani 1 1 d . U . . .
F59 F 0.6497(7) -0.3086(8) 0.7852(4) 0.320(6) Uani 1 1 d . U . . .
F60 F 0.6596(7) -0.1771(8) 0.7875(4) 0.304(5) Uani 1 1 d . U . . .
F52' F 1.0429(4) -0.1154(4) 1.0821(4) 0.157(6) Uani 0.382(6) 1 d D U P A 2
F53' F 1.0010(6) -0.0204(4) 1.0345(3) 0.203(8) Uani 0.382(6) 1 d D U P A 2
F54' F 0.9445(4) -0.0506(6) 1.1056(3) 0.195(8) Uani 0.382(6) 1 d D U P A 2
N1 N 0.6376(3) -0.2656(3) 1.1092(2) 0.0588(16) Uani 1 1 d . . . . .
N2 N 0.6154(3) -0.3278(3) 1.1401(2) 0.0597(17) Uani 1 1 d . . . . .
N3 N 0.7447(3) -0.3778(4) 1.1350(2) 0.0732(19) Uani 1 1 d . . . . .
N4 N 0.7615(3) -0.3130(4) 1.1043(2) 0.0794(19) Uani 1 1 d . . . . .
N5 N 0.7474(3) 0.0546(3) 0.8883(3) 0.0934(19) Uani 1 1 d . . . . .
N6 N 0.7627(3) 0.1106(3) 0.8515(3) 0.1003(19) Uani 1 1 d . . . . .
N7 N 0.8666(3) -0.0023(2) 0.8720(2) 0.0430(13) Uani 1 1 d . . . . .
N8 N 0.8859(3) 0.0556(3) 0.8378(2) 0.0445(13) Uani 1 1 d . . . . .
N9 N 0.8020(3) 0.2884(2) 0.75041(17) 0.0370(12) Uani 1 1 d . . . . .
N10 N 0.6363(3) 0.4510(2) 0.73103(16) 0.0345(11) Uani 1 1 d . . . . .
N11 N 0.5691(2) 0.6901(2) 0.64606(17) 0.0370(12) Uani 1 1 d . . . . .
N12 N 0.5945(2) 0.7479(2) 0.61276(18) 0.0384(12) Uani 1 1 d . . . . .
N13 N 0.7118(3) 0.6831(3) 0.6009(2) 0.0578(15) Uani 1 1 d . . . . .
N14 N 0.6923(3) 0.6273(3) 0.6351(2) 0.0523(15) Uani 1 1 d . . . . .
N15 N 0.7733(3) 1.0519(3) 0.39397(19) 0.0510(14) Uani 1 1 d . . . . .
N16 N 0.7961(3) 1.1120(3) 0.3621(2) 0.0509(14) Uani 1 1 d . . . . .
N17 N 0.9259(3) 1.0587(3) 0.36642(18) 0.0435(13) Uani 1 1 d . . . . .
N18 N 0.8985(3) 0.9998(3) 0.39622(18) 0.0416(13) Uani 1 1 d . . . . .
N19 N 0.8600(3) 1.2871(3) 0.26883(17) 0.0402(12) Uani 1 1 d . . . . .
N20 N 0.6910(2) 1.4408(3) 0.22848(18) 0.0423(13) Uani 1 1 d . . . . .
O1 O 0.8065(2) 1.3531(2) 0.16289(13) 0.0469(11) Uani 1 1 d . . . . .
O2 O 0.6987(2) 1.2796(3) 0.23523(14) 0.0524(12) Uani 1 1 d . . . . .
O3 O 0.8542(2) 1.4481(2) 0.26014(15) 0.0448(11) Uani 1 1 d . . . . .
O4 O 0.7449(2) 1.3748(2) 0.33292(14) 0.0509(12) Uani 1 1 d . . . . .
O5 O 0.7464(3) 0.9193(3) 0.6050(2) 0.0871(19) Uani 1 1 d . . . . .
O6 O 0.8053(3) 1.0120(3) 0.5275(3) 0.085(2) Uani 1 1 d . . . . .
O7 O 0.6376(2) 0.9740(2) 0.52687(17) 0.0485(12) Uani 1 1 d . . . . .
O8 O 0.6489(2) 0.8639(2) 0.45059(16) 0.0514(12) Uani 1 1 d . . . . .
O9 O 0.8743(2) 0.8645(3) 0.54757(17) 0.0580(13) Uani 1 1 d . . . . .
O10 O 0.7946(2) 0.7848(3) 0.4681(2) 0.0635(15) Uani 1 1 d . . . . .
O11 O 0.8029(2) 0.4524(2) 0.74894(16) 0.0487(12) Uani 1 1 d . . . . .
O12 O 0.7057(2) 0.3720(2) 0.82389(17) 0.0556(12) Uani 1 1 d . . . . .
O13 O 0.6335(3) 0.2793(3) 0.73245(18) 0.0635(14) Uani 1 1 d . . . . .
O14 O 0.7265(2) 0.3631(2) 0.65667(15) 0.0531(12) Uani 1 1 d . . . . .
O15 O 0.6083(2) -0.1393(2) 0.95449(15) 0.0492(12) Uani 1 1 d . . . . .
O16 O 0.6946(3) -0.0562(3) 1.0274(2) 0.0705(16) Uani 1 1 d . . . . .
O17 O 0.8558(2) -0.1165(3) 1.02332(17) 0.0569(12) Uani 1 1 d . . . . .
O18 O 0.8478(2) -0.2358(2) 0.95488(19) 0.0558(13) Uani 1 1 d . . . . .
O19 O 0.6909(3) -0.2834(2) 0.9775(2) 0.0781(18) Uani 1 1 d . . . . .
O20 O 0.7214(3) -0.1968(4) 0.8869(2) 0.0855(19) Uani 1 1 d . . . . .
O21 O 0.7289(3) -0.2007(3) 1.06399(17) 0.0720(15) Uani 1 1 d . . . . .
O22 O 0.7822(3) -0.0582(3) 0.9268(2) 0.0771(15) Uani 1 1 d . U . . .
O23 O 0.6825(2) 0.7927(2) 0.55414(17) 0.0571(12) Uani 1 1 d . . . . .
O24 O 0.7996(2) 0.9381(3) 0.43455(17) 0.0611(13) Uani 1 1 d . . . . .


_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
C1 F2 1.279(7) . ?
C1 F3 1.316(8) . ?
C1 F1 1.337(11) . ?
C1 C2 1.513(8) . ?
C2 O1 1.228(6) . ?
C2 C3 1.435(8) . ?
C3 C4 1.363(8) . ?
C4 O2 1.283(7) . ?
C4 C5 1.519(8) . ?
C5 F5 1.300(8) . ?
C5 F4 1.302(7) . ?
C5 F6 1.337(7) . ?
C6 F7 1.284(8) . ?
C6 F8 1.303(8) . ?
C6 F9 1.319(9) . ?
C6 C7 1.531(9) . ?
C7 O3 1.241(7) . ?
C7 C8 1.373(9) . ?
C8 C9 1.385(8) . ?
C9 O4 1.217(7) . ?
C9 C10 1.571(8) . ?
C10 F11 1.293(9) . ?
C10 F10 1.293(8) . ?
C10 F12 1.298(10) . ?
C11 F13 1.237(14) . ?
C11 F14 1.298(12) . ?
C11 F15 1.354(13) . ?
C11 C12 1.515(9) . ?
C12 O6 1.217(10) . ?
C12 C13 1.349(13) . ?
C13 C14 1.357(14) . ?
C14 O5 1.199(11) . ?
C14 C15 1.522(8) . ?
C15 F17 1.304(18) . ?
C15 F18 1.324(16) . ?
C15 F16 1.351(17) . ?
C16 F20 1.257(9) . ?
C16 F21 1.317(9) . ?
C16 F19 1.368(10) . ?
C16 C17 1.532(10) . ?
C17 O7 1.265(7) . ?
C17 C18 1.363(9) . ?
C18 C19 1.369(10) . ?
C19 O8 1.260(7) . ?
C19 C20 1.515(12) . ?
C20 F24 1.250(10) . ?
C20 F22 1.308(13) . ?
C20 F23 1.313(11) . ?
C21 F26 1.313(11) . ?
C21 F25 1.315(10) . ?
C21 F27 1.322(11) . ?
C21 C22 1.511(10) . ?
C22 O9 1.252(8) . ?
C22 C23 1.358(10) . ?
C23 C24 1.366(10) . ?
C24 O10 1.239(9) . ?
C24 C25 1.606(13) . ?
C25 F29 1.162(12) . ?
C25 F30 1.340(13) . ?
C25 F28 1.344(12) . ?
C26 F32 1.292(10) . ?
C26 F33 1.326(10) . ?
C26 F31 1.326(10) . ?
C26 C27 1.511(10) . ?
C27 O11 1.232(7) . ?
C27 C28 1.395(9) . ?
C28 C29 1.421(9) . ?
C29 O12 1.248(7) . ?
C29 C30 1.575(10) . ?
C30 F35 1.263(10) . ?
C30 F36 1.318(10) . ?
C30 F34 1.338(11) . ?
C31 F37 1.288(8) . ?
C31 F39 1.304(10) . ?
C31 F38 1.334(10) . ?
C31 C32 1.548(9) . ?
C32 O14 1.244(7) . ?
C32 C33 1.381(9) . ?
C33 C34 1.364(10) . ?
C34 O13 1.235(9) . ?
C34 C35 1.523(12) . ?
C35 F42 1.219(11) . ?
C35 F40 1.264(11) . ?
C35 F41 1.431(12) . ?
C36 F44 1.262(13) . ?
C36 F45 1.277(12) . ?
C36 F43 1.308(12) . ?
C36 C37 1.557(13) . ?
C37 O16 1.281(8) . ?
C37 C38 1.359(10) . ?
C38 C39 1.363(9) . ?
C39 O15 1.224(7) . ?
C39 C40 1.533(9) . ?
C40 F47 1.233(9) . ?
C40 F48 1.277(9) . ?
C40 F46 1.317(10) . ?
C41 F51 1.259(10) . ?
C41 F50 1.303(9) . ?
C41 F49 1.341(9) . ?
C41 C42 1.565(10) . ?
C42 O18 1.292(7) . ?
C42 C43 1.380(9) . ?
C43 C44 1.366(10) . ?
C44 O17 1.228(7) . ?
C44 C45 1.588(9) . ?
C45 F52 1.318(7) . ?
C45 F53' 1.318(7) . ?
C45 F54 1.320(6) . ?
C45 F54' 1.323(7) . ?
C45 F52' 1.330(7) . ?
C45 F53 1.331(6) . ?
C46 F55 1.300(7) . ?
C46 F57 1.328(7) . ?
C46 F56 1.329(7) . ?
C46 C47 1.522(8) . ?
C47 O19 1.144(9) . ?
C47 C48 1.327(13) . ?
C48 C49 1.414(14) . ?
C49 O20 1.391(12) . ?
C49 C50 1.521(8) . ?
C50 F59 1.242(18) . ?
C50 F58 1.393(15) . ?
C50 F60 1.398(19) . ?
C51 O21 1.260(8) . ?
C51 N1 1.327(8) . ?
C51 N4 1.338(9) . ?
C52 N3 1.325(8) . ?
C52 N2 1.327(8) . ?
C52 C99 1.448(9) 1_536 ?
C53 C54 1.461(11) . ?
C54 C55 1.499(12) . ?
C54 N1 1.507(9) . ?
C56 C57 1.527(13) . ?
C57 C58 1.425(13) . ?
C57 N4 1.506(9) . ?
C59 C60 1.580(12) . ?
C60 N7 1.470(7) . ?
C60 C61 1.489(10) . ?
C62 O22 1.257(8) . ?
C62 N7 1.314(8) . ?
C62 N5 1.368(8) . ?
C63 C64 1.589(14) . ?
C64 C65 1.428(11) . ?
C64 N5 1.523(10) . ?
C66 N6 1.301(8) . ?
C66 N8 1.313(7) . ?
C66 C68 1.490(8) . ?
C67 N9 1.369(7) . ?
C67 C68 1.376(8) . ?
C68 C69 1.380(8) . ?
C69 C70 1.453(9) . ?
C70 C71 1.322(9) . ?
C71 N9 1.336(7) . ?
C72 N10 1.330(7) . ?
C72 C73 1.404(8) . ?
C73 C74 1.358(8) . ?
C74 C75 1.389(7) . ?
C75 C76 1.367(7) . ?
C75 C77 1.494(7) . ?
C76 N10 1.355(7) . ?
C77 N11 1.319(7) . ?
C77 N14 1.330(7) . ?
C78 C79 1.490(9) . ?
C79 N13 1.486(8) . ?
C79 C80 1.586(11) . ?
C81 C82 1.463(10) . ?
C82 N12 1.461(7) . ?
C82 C83 1.465(10) . ?
C84 O23 1.233(7) . ?
C84 N13 1.372(8) . ?
C84 N12 1.376(7) . ?
C85 O24 1.227(7) . ?
C85 N18 1.336(7) . ?
C85 N15 1.377(8) . ?
C86 C87 1.475(11) . ?
C87 N18 1.485(8) . ?
C87 C88 1.527(11) . ?
C89 C90 1.402(13) . ?
C90 N15 1.444(9) . ?
C90 C91 1.565(13) . ?
C92 N17 1.326(7) . ?
C92 N16 1.329(7) . ?
C92 C94 1.472(8) . ?
C93 N19 1.368(7) . ?
C93 C94 1.373(8) . ?
C94 C95 1.389(8) . ?
C95 C96 1.354(9) . ?
C96 C97 1.339(9) . ?
C97 N19 1.348(7) . ?
C98 N20 1.350(7) . ?
C98 C99 1.386(9) . ?
C99 C100 1.357(9) . ?
C99 C52 1.449(9) 1_574 ?
C100 C101 1.409(10) . ?
C101 C102 1.352(9) . ?
C102 N20 1.321(7) . ?
C103 C104 1.56(3) . ?
C104 C105 1.67(3) . ?
C105 C106 1.40(2) . ?
C106 C107 1.525(9) . ?
C107 C108 1.527(10) . ?
C108 C109 1.539(9) . ?
Cu1 N10 1.999(4) . ?
Cu1 N9 2.009(4) . ?
Cu1 O11 2.078(4) . ?
Cu1 O13 2.098(5) . ?
Cu1 O14 2.122(4) . ?
Cu1 O12 2.126(4) . ?
Cu2 O2 1.985(4) . ?
Cu2 O3 1.992(4) . ?
Cu2 N19 2.003(5) . ?
Cu2 N20 2.018(5) . ?
Cu2 O1 2.231(3) . ?
Cu2 O4 2.242(4) . ?
Dy1 O22 2.290(5) . ?
Dy1 O18 2.318(4) . ?
Dy1 O19 2.328(4) . ?
Dy1 O21 2.330(4) . ?
Dy1 O17 2.333(4) . ?
Dy1 O15 2.342(3) . ?
Dy1 O16 2.366(5) . ?
Dy1 O20 2.372(5) . ?
Dy2 O6 2.304(5) . ?
Dy2 O23 2.319(4) . ?
Dy2 O5 2.320(5) . ?
Dy2 O9 2.323(4) . ?
Dy2 O8 2.332(4) . ?
Dy2 O7 2.368(4) . ?
Dy2 O24 2.374(4) . ?
Dy2 O10 2.383(4) . ?
N1 N2 1.397(8) . ?
N3 N4 1.407(8) . ?
N5 N6 1.379(8) . ?
N7 N8 1.376(6) . ?
N11 N12 1.392(6) . ?
N13 N14 1.352(7) . ?
N15 N16 1.385(7) . ?
N17 N18 1.365(7) . ?

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
F2 C1 F3 108.7(6) . . ?
F2 C1 F1 103.7(7) . . ?
F3 C1 F1 106.4(6) . . ?
F2 C1 C2 112.5(5) . . ?
F3 C1 C2 115.1(6) . . ?
F1 C1 C2 109.6(6) . . ?
O1 C2 C3 128.1(5) . . ?
O1 C2 C1 114.9(5) . . ?
C3 C2 C1 117.0(5) . . ?
C4 C3 C2 123.8(5) . . ?
O2 C4 C3 129.4(5) . . ?
O2 C4 C5 110.1(5) . . ?
C3 C4 C5 120.5(5) . . ?
F5 C5 F4 107.7(5) . . ?
F5 C5 F6 107.1(5) . . ?
F4 C5 F6 105.8(5) . . ?
F5 C5 C4 111.2(5) . . ?
F4 C5 C4 113.3(5) . . ?
F6 C5 C4 111.4(5) . . ?
F7 C6 F8 106.1(6) . . ?
F7 C6 F9 105.2(6) . . ?
F8 C6 F9 104.9(6) . . ?
F7 C6 C7 115.9(6) . . ?
F8 C6 C7 112.4(6) . . ?
F9 C6 C7 111.4(6) . . ?
O3 C7 C8 130.8(6) . . ?
O3 C7 C6 112.1(5) . . ?
C8 C7 C6 117.1(6) . . ?
C7 C8 C9 124.8(6) . . ?
O4 C9 C8 128.3(5) . . ?
O4 C9 C10 113.6(5) . . ?
C8 C9 C10 118.1(5) . . ?
F11 C10 F10 111.0(7) . . ?
F11 C10 F12 106.5(7) . . ?
F10 C10 F12 105.1(6) . . ?
F11 C10 C9 109.5(5) . . ?
F10 C10 C9 114.9(6) . . ?
F12 C10 C9 109.4(6) . . ?
F13 C11 F14 106.3(9) . . ?
F13 C11 F15 110.7(8) . . ?
F14 C11 F15 94.1(9) . . ?
F13 C11 C12 116.4(10) . . ?
F14 C11 C12 113.4(7) . . ?
F15 C11 C12 113.5(8) . . ?
O6 C12 C13 126.1(7) . . ?
O6 C12 C11 114.3(8) . . ?
C13 C12 C11 119.4(9) . . ?
C12 C13 C14 126.1(8) . . ?
O5 C14 C13 124.0(7) . . ?
O5 C14 C15 115.5(10) . . ?
C13 C14 C15 120.5(10) . . ?
F17 C15 F18 105.6(12) . . ?
F17 C15 F16 113.0(11) . . ?
F18 C15 F16 105.4(12) . . ?
F17 C15 C14 113.5(11) . . ?
F18 C15 C14 108.4(9) . . ?
F16 C15 C14 110.4(11) . . ?
F20 C16 F21 107.2(7) . . ?
F20 C16 F19 106.3(7) . . ?
F21 C16 F19 102.5(7) . . ?
F20 C16 C17 117.4(7) . . ?
F21 C16 C17 112.0(6) . . ?
F19 C16 C17 110.2(6) . . ?
O7 C17 C18 127.9(6) . . ?
O7 C17 C16 114.1(6) . . ?
C18 C17 C16 118.0(6) . . ?
C17 C18 C19 121.5(6) . . ?
O8 C19 C18 126.4(7) . . ?
O8 C19 C20 117.2(7) . . ?
C18 C19 C20 116.5(7) . . ?
F24 C20 F22 110.1(8) . . ?
F24 C20 F23 104.6(8) . . ?
F22 C20 F23 105.9(10) . . ?
F24 C20 C19 117.3(9) . . ?
F22 C20 C19 108.4(8) . . ?
F23 C20 C19 109.8(8) . . ?
F26 C21 F25 102.3(7) . . ?
F26 C21 F27 108.7(7) . . ?
F25 C21 F27 103.9(8) . . ?
F26 C21 C22 116.0(8) . . ?
F25 C21 C22 114.4(6) . . ?
F27 C21 C22 110.6(7) . . ?
O9 C22 C23 127.1(6) . . ?
O9 C22 C21 114.4(6) . . ?
C23 C22 C21 118.4(6) . . ?
C22 C23 C24 121.9(7) . . ?
O10 C24 C23 127.6(8) . . ?
O10 C24 C25 112.8(7) . . ?
C23 C24 C25 119.5(7) . . ?
F29 C25 F30 109.2(10) . . ?
F29 C25 F28 111.2(10) . . ?
F30 C25 F28 105.2(8) . . ?
F29 C25 C24 115.2(9) . . ?
F30 C25 C24 106.4(8) . . ?
F28 C25 C24 109.0(8) . . ?
F32 C26 F33 103.6(7) . . ?
F32 C26 F31 103.0(7) . . ?
F33 C26 F31 107.0(7) . . ?
F32 C26 C27 112.9(7) . . ?
F33 C26 C27 113.1(6) . . ?
F31 C26 C27 116.2(7) . . ?
O11 C27 C28 130.4(6) . . ?
O11 C27 C26 113.3(6) . . ?
C28 C27 C26 116.3(6) . . ?
C27 C28 C29 121.1(6) . . ?
O12 C29 C28 130.1(6) . . ?
O12 C29 C30 115.3(6) . . ?
C28 C29 C30 114.5(6) . . ?
F35 C30 F36 110.8(7) . . ?
F35 C30 F34 108.2(8) . . ?
F36 C30 F34 107.8(7) . . ?
F35 C30 C29 115.0(7) . . ?
F36 C30 C29 109.1(7) . . ?
F34 C30 C29 105.6(6) . . ?
F37 C31 F39 109.2(7) . . ?
F37 C31 F38 103.4(6) . . ?
F39 C31 F38 106.9(6) . . ?
F37 C31 C32 113.9(6) . . ?
F39 C31 C32 111.2(6) . . ?
F38 C31 C32 111.8(7) . . ?
O14 C32 C33 130.0(6) . . ?
O14 C32 C31 110.0(6) . . ?
C33 C32 C31 119.9(6) . . ?
C34 C33 C32 123.4(6) . . ?
O13 C34 C33 129.9(7) . . ?
O13 C34 C35 112.6(7) . . ?
C33 C34 C35 117.5(7) . . ?
F42 C35 F40 110.2(9) . . ?
F42 C35 F41 107.0(8) . . ?
F40 C35 F41 99.4(8) . . ?
F42 C35 C34 118.0(8) . . ?
F40 C35 C34 114.5(7) . . ?
F41 C35 C34 105.7(8) . . ?
F44 C36 F45 111.4(10) . . ?
F44 C36 F43 112.5(10) . . ?
F45 C36 F43 98.5(8) . . ?
F44 C36 C37 114.3(9) . . ?
F45 C36 C37 112.3(8) . . ?
F43 C36 C37 106.6(8) . . ?
O16 C37 C38 127.7(7) . . ?
O16 C37 C36 112.8(7) . . ?
C38 C37 C36 119.3(7) . . ?
C37 C38 C39 120.9(6) . . ?
O15 C39 C38 127.2(6) . . ?
O15 C39 C40 115.1(6) . . ?
C38 C39 C40 117.7(6) . . ?
F47 C40 F48 106.4(7) . . ?
F47 C40 F46 105.4(7) . . ?
F48 C40 F46 105.0(7) . . ?
F47 C40 C39 116.6(7) . . ?
F48 C40 C39 111.3(6) . . ?
F46 C40 C39 111.4(6) . . ?
F51 C41 F50 110.0(7) . . ?
F51 C41 F49 112.0(8) . . ?
F50 C41 F49 104.8(6) . . ?
F51 C41 C42 110.0(6) . . ?
F50 C41 C42 111.3(7) . . ?
F49 C41 C42 108.5(6) . . ?
O18 C42 C43 125.6(6) . . ?
O18 C42 C41 115.2(6) . . ?
C43 C42 C41 118.9(6) . . ?
C44 C43 C42 120.0(6) . . ?
O17 C44 C43 129.0(7) . . ?
O17 C44 C45 114.0(6) . . ?
C43 C44 C45 116.9(5) . . ?
F52 C45 F54 108.6(6) . . ?
F53' C45 F54' 108.0(6) . . ?
F53' C45 F52' 108.3(6) . . ?
F54' C45 F52' 106.2(6) . . ?
F52 C45 F53 107.8(6) . . ?
F54 C45 F53 106.6(5) . . ?
F52 C45 C44 106.5(5) . . ?
F53' C45 C44 106.7(6) . . ?
F54 C45 C44 114.5(5) . . ?
F54' C45 C44 116.7(6) . . ?
F52' C45 C44 110.6(6) . . ?
F53 C45 C44 112.7(5) . . ?
F55 C46 F57 108.4(6) . . ?
F55 C46 F56 110.4(6) . . ?
F57 C46 F56 105.6(6) . . ?
F55 C46 C47 114.7(6) . . ?
F57 C46 C47 108.9(5) . . ?
F56 C46 C47 108.4(6) . . ?
O19 C47 C48 124.6(8) . . ?
O19 C47 C46 118.2(7) . . ?
C48 C47 C46 116.9(7) . . ?
C47 C48 C49 128.0(9) . . ?
O20 C49 C48 122.4(7) . . ?
O20 C49 C50 106.2(9) . . ?
C48 C49 C50 131.3(11) . . ?
F59 C50 F58 104.5(12) . . ?
F59 C50 F60 121.0(11) . . ?
F58 C50 F60 95.6(11) . . ?
F59 C50 C49 107.5(12) . . ?
F58 C50 C49 107.7(10) . . ?
F60 C50 C49 118.0(11) . . ?
O21 C51 N1 122.4(6) . . ?
O21 C51 N4 121.0(6) . . ?
N1 C51 N4 116.5(6) . . ?
N3 C52 N2 126.4(6) . . ?
N3 C52 C99 117.2(6) . 1_536 ?
N2 C52 C99 116.3(5) . 1_536 ?
C53 C54 C55 110.1(7) . . ?
C53 C54 N1 110.4(6) . . ?
C55 C54 N1 109.3(6) . . ?
C58 C57 N4 107.9(7) . . ?
C58 C57 C56 114.0(9) . . ?
N4 C57 C56 112.3(7) . . ?
N7 C60 C61 115.4(6) . . ?
N7 C60 C59 105.9(6) . . ?
C61 C60 C59 107.2(7) . . ?
O22 C62 N7 122.7(5) . . ?
O22 C62 N5 118.6(6) . . ?
N7 C62 N5 118.6(6) . . ?
C65 C64 N5 108.6(7) . . ?
C65 C64 C63 112.6(8) . . ?
N5 C64 C63 111.6(7) . . ?
N6 C66 N8 127.0(6) . . ?
N6 C66 C68 115.4(5) . . ?
N8 C66 C68 117.6(5) . . ?
N9 C67 C68 122.1(5) . . ?
C67 C68 C69 121.0(5) . . ?
C67 C68 C66 119.0(5) . . ?
C69 C68 C66 119.9(5) . . ?
C68 C69 C70 115.6(5) . . ?
C71 C70 C69 119.1(6) . . ?
C70 C71 N9 125.8(6) . . ?
N10 C72 C73 121.8(5) . . ?
C74 C73 C72 119.6(5) . . ?
C73 C74 C75 118.8(5) . . ?
C76 C75 C74 118.9(5) . . ?
C76 C75 C77 119.0(5) . . ?
C74 C75 C77 122.1(5) . . ?
N10 C76 C75 123.0(5) . . ?
N11 C77 N14 128.5(5) . . ?
N11 C77 C75 117.7(5) . . ?
N14 C77 C75 113.8(5) . . ?
N13 C79 C78 109.0(6) . . ?
N13 C79 C80 109.9(5) . . ?
C78 C79 C80 113.5(6) . . ?
N12 C82 C81 109.2(5) . . ?
N12 C82 C83 111.0(5) . . ?
C81 C82 C83 112.1(6) . . ?
O23 C84 N13 122.6(5) . . ?
O23 C84 N12 122.1(5) . . ?
N13 C84 N12 115.1(5) . . ?
O24 C85 N18 122.5(5) . . ?
O24 C85 N15 120.8(5) . . ?
N18 C85 N15 116.6(5) . . ?
C86 C87 N18 110.8(6) . . ?
C86 C87 C88 111.5(7) . . ?
N18 C87 C88 108.6(6) . . ?
C89 C90 N15 113.2(7) . . ?
C89 C90 C91 112.8(8) . . ?
N15 C90 C91 108.4(7) . . ?
N17 C92 N16 128.0(5) . . ?
N17 C92 C94 117.8(5) . . ?
N16 C92 C94 114.0(5) . . ?
N19 C93 C94 121.2(5) . . ?
C93 C94 C95 118.8(5) . . ?
C93 C94 C92 118.2(5) . . ?
C95 C94 C92 123.0(5) . . ?
C96 C95 C94 118.9(6) . . ?
C97 C96 C95 121.0(6) . . ?
C96 C97 N19 122.0(6) . . ?
N20 C98 C99 122.2(5) . . ?
C100 C99 C98 119.7(6) . . ?
C100 C99 C52 121.6(6) . 1_574 ?
C98 C99 C52 118.7(5) . 1_574 ?
C99 C100 C101 117.0(6) . . ?
C102 C101 C100 120.5(6) . . ?
N20 C102 C101 122.4(6) . . ?
C103 C104 C105 83.2(18) . . ?
C106 C105 C104 90.4(15) . . ?
C105 C106 C107 108.2(12) . . ?
C106 C107 C108 121.1(10) . . ?
C107 C108 C109 140.7(10) . . ?
N10 Cu1 N9 177.16(18) . . ?
N10 Cu1 O11 88.43(17) . . ?
N9 Cu1 O11 88.75(17) . . ?
N10 Cu1 O13 93.83(18) . . ?
N9 Cu1 O13 89.00(18) . . ?
O11 Cu1 O13 177.71(17) . . ?
N10 Cu1 O14 89.74(16) . . ?
N9 Cu1 O14 90.73(16) . . ?
O11 Cu1 O14 92.74(16) . . ?
O13 Cu1 O14 87.66(17) . . ?
N10 Cu1 O12 90.00(16) . . ?
N9 Cu1 O12 89.57(16) . . ?
O11 Cu1 O12 88.03(16) . . ?
O13 Cu1 O12 91.58(17) . . ?
O14 Cu1 O12 179.18(16) . . ?
O2 Cu2 O3 179.80(16) . . ?
O2 Cu2 N19 90.42(18) . . ?
O3 Cu2 N19 89.60(17) . . ?
O2 Cu2 N20 89.43(18) . . ?
O3 Cu2 N20 90.56(18) . . ?
N19 Cu2 N20 178.56(18) . . ?
O2 Cu2 O1 88.01(15) . . ?
O3 Cu2 O1 91.79(15) . . ?
N19 Cu2 O1 90.44(16) . . ?
N20 Cu2 O1 90.98(16) . . ?
O2 Cu2 O4 91.83(15) . . ?
O3 Cu2 O4 88.37(15) . . ?
N19 Cu2 O4 90.01(16) . . ?
N20 Cu2 O4 88.57(17) . . ?
O1 Cu2 O4 179.52(15) . . ?
O22 Dy1 O18 93.33(16) . . ?
O22 Dy1 O19 147.0(2) . . ?
O18 Dy1 O19 76.28(15) . . ?
O22 Dy1 O21 143.16(19) . . ?
O18 Dy1 O21 99.07(17) . . ?
O19 Dy1 O21 69.9(2) . . ?
O22 Dy1 O17 76.70(17) . . ?
O18 Dy1 O17 71.00(15) . . ?
O19 Dy1 O17 126.52(17) . . ?
O21 Dy1 O17 74.90(16) . . ?
O22 Dy1 O15 93.42(15) . . ?
O18 Dy1 O15 141.22(15) . . ?
O19 Dy1 O15 77.43(15) . . ?
O21 Dy1 O15 98.04(15) . . ?
O17 Dy1 O15 147.48(15) . . ?
O22 Dy1 O16 80.06(18) . . ?
O18 Dy1 O16 148.29(15) . . ?
O19 Dy1 O16 124.41(18) . . ?
O21 Dy1 O16 71.22(18) . . ?
O17 Dy1 O16 77.30(15) . . ?
O15 Dy1 O16 70.45(15) . . ?
O22 Dy1 O20 73.7(2) . . ?
O18 Dy1 O20 72.34(17) . . ?
O19 Dy1 O20 73.3(2) . . ?
O21 Dy1 O20 143.2(2) . . ?
O17 Dy1 O20 130.66(16) . . ?
O15 Dy1 O20 73.11(15) . . ?
O16 Dy1 O20 133.11(19) . . ?
O6 Dy2 O23 145.72(19) . . ?
O6 Dy2 O5 73.2(2) . . ?
O23 Dy2 O5 72.69(18) . . ?
O6 Dy2 O9 76.36(17) . . ?
O23 Dy2 O9 97.77(15) . . ?
O5 Dy2 O9 75.07(16) . . ?
O6 Dy2 O8 125.50(17) . . ?
O23 Dy2 O8 77.89(15) . . ?
O5 Dy2 O8 133.24(16) . . ?
O9 Dy2 O8 145.43(15) . . ?
O6 Dy2 O7 77.35(16) . . ?
O23 Dy2 O7 90.02(14) . . ?
O5 Dy2 O7 73.48(16) . . ?
O9 Dy2 O7 143.57(15) . . ?
O8 Dy2 O7 71.00(14) . . ?
O6 Dy2 O24 69.64(19) . . ?
O23 Dy2 O24 144.63(16) . . ?
O5 Dy2 O24 142.27(18) . . ?
O9 Dy2 O24 90.04(14) . . ?
O8 Dy2 O24 76.36(14) . . ?
O7 Dy2 O24 103.90(15) . . ?
O6 Dy2 O10 129.16(17) . . ?
O23 Dy2 O10 77.76(15) . . ?
O5 Dy2 O10 131.07(18) . . ?
O9 Dy2 O10 71.31(15) . . ?
O8 Dy2 O10 74.28(14) . . ?
O7 Dy2 O10 144.90(14) . . ?
O24 Dy2 O10 72.22(16) . . ?
C51 N1 N2 123.2(6) . . ?
C51 N1 C54 121.6(6) . . ?
N2 N1 C54 115.3(5) . . ?
C52 N2 N1 115.7(5) . . ?
C52 N3 N4 113.7(6) . . ?
C51 N4 N3 124.5(5) . . ?
C51 N4 C57 124.9(6) . . ?
N3 N4 C57 110.4(6) . . ?
C62 N5 N6 119.3(6) . . ?
C62 N5 C64 125.6(6) . . ?
N6 N5 C64 115.1(6) . . ?
C66 N6 N5 116.9(5) . . ?
C62 N7 N8 123.2(5) . . ?
C62 N7 C60 121.7(5) . . ?
N8 N7 C60 115.0(5) . . ?
C66 N8 N7 114.6(5) . . ?
C71 N9 C67 116.3(5) . . ?
C71 N9 Cu1 124.3(4) . . ?
C67 N9 Cu1 119.4(4) . . ?
C72 N10 C76 117.9(5) . . ?
C72 N10 Cu1 122.9(4) . . ?
C76 N10 Cu1 119.2(3) . . ?
C77 N11 N12 113.8(4) . . ?
C84 N12 N11 123.3(4) . . ?
C84 N12 C82 120.4(5) . . ?
N11 N12 C82 116.0(4) . . ?
N14 N13 C84 124.3(5) . . ?
N14 N13 C79 113.4(5) . . ?
C84 N13 C79 122.2(5) . . ?
C77 N14 N13 114.8(5) . . ?
C85 N15 N16 122.8(5) . . ?
C85 N15 C90 123.2(6) . . ?
N16 N15 C90 113.6(5) . . ?
C92 N16 N15 113.7(5) . . ?
C92 N17 N18 115.0(4) . . ?
C85 N18 N17 123.7(5) . . ?
C85 N18 C87 121.2(5) . . ?
N17 N18 C87 115.1(4) . . ?
C97 N19 C93 118.2(5) . . ?
C97 N19 Cu2 122.8(4) . . ?
C93 N19 Cu2 119.0(4) . . ?
C102 N20 C98 118.1(5) . . ?
C102 N20 Cu2 121.2(4) . . ?
C98 N20 Cu2 120.7(4) . . ?
C2 O1 Cu2 121.4(3) . . ?
C4 O2 Cu2 126.1(4) . . ?
C7 O3 Cu2 125.7(4) . . ?
C9 O4 Cu2 121.7(4) . . ?
C14 O5 Dy2 135.9(6) . . ?
C12 O6 Dy2 134.2(6) . . ?
C17 O7 Dy2 135.3(4) . . ?
C19 O8 Dy2 137.9(4) . . ?
C22 O9 Dy2 136.6(4) . . ?
C24 O10 Dy2 134.3(5) . . ?
C27 O11 Cu1 125.9(4) . . ?
C29 O12 Cu1 123.4(4) . . ?
C34 O13 Cu1 122.8(4) . . ?
C32 O14 Cu1 122.2(4) . . ?
C39 O15 Dy1 138.6(4) . . ?
C37 O16 Dy1 134.8(5) . . ?
C44 O17 Dy1 136.9(5) . . ?
C42 O18 Dy1 137.3(4) . . ?
C47 O19 Dy1 141.4(6) . . ?
C49 O20 Dy1 130.2(5) . . ?
C51 O21 Dy1 142.0(5) . . ?
C62 O22 Dy1 174.3(5) . . ?
C84 O23 Dy2 159.6(4) . . ?
C85 O24 Dy2 146.1(4) . . ?

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
F2 C1 C2 O1 51.1(9) . . . . ?
F3 C1 C2 O1 176.4(6) . . . . ?
F1 C1 C2 O1 -63.7(7) . . . . ?
F2 C1 C2 C3 -130.5(7) . . . . ?
F3 C1 C2 C3 -5.2(9) . . . . ?
F1 C1 C2 C3 114.7(7) . . . . ?
O1 C2 C3 C4 -0.2(10) . . . . ?
C1 C2 C3 C4 -178.4(6) . . . . ?
C2 C3 C4 O2 -0.1(10) . . . . ?
C2 C3 C4 C5 179.2(5) . . . . ?
O2 C4 C5 F5 -68.7(7) . . . . ?
C3 C4 C5 F5 111.9(6) . . . . ?
O2 C4 C5 F4 52.7(7) . . . . ?
C3 C4 C5 F4 -126.7(6) . . . . ?
O2 C4 C5 F6 171.8(5) . . . . ?
C3 C4 C5 F6 -7.6(8) . . . . ?
F7 C6 C7 O3 -173.5(6) . . . . ?
F8 C6 C7 O3 -51.2(8) . . . . ?
F9 C6 C7 O3 66.2(7) . . . . ?
F7 C6 C7 C8 8.0(9) . . . . ?
F8 C6 C7 C8 130.3(6) . . . . ?
F9 C6 C7 C8 -112.2(7) . . . . ?
O3 C7 C8 C9 4.1(11) . . . . ?
C6 C7 C8 C9 -177.8(6) . . . . ?
C7 C8 C9 O4 0.4(11) . . . . ?
C7 C8 C9 C10 178.8(6) . . . . ?
O4 C9 C10 F11 -67.0(8) . . . . ?
C8 C9 C10 F11 114.4(7) . . . . ?
O4 C9 C10 F10 167.3(6) . . . . ?
C8 C9 C10 F10 -11.3(9) . . . . ?
O4 C9 C10 F12 49.4(8) . . . . ?
C8 C9 C10 F12 -129.2(6) . . . . ?
F13 C11 C12 O6 170.6(9) . . . . ?
F14 C11 C12 O6 -65.6(12) . . . . ?
F15 C11 C12 O6 40.3(11) . . . . ?
F13 C11 C12 C13 -13.0(13) . . . . ?
F14 C11 C12 C13 110.9(11) . . . . ?
F15 C11 C12 C13 -143.3(9) . . . . ?
O6 C12 C13 C14 3.0(15) . . . . ?
C11 C12 C13 C14 -173.0(9) . . . . ?
C12 C13 C14 O5 -5.4(17) . . . . ?
C12 C13 C14 C15 175.8(10) . . . . ?
O5 C14 C15 F17 61.1(15) . . . . ?
C13 C14 C15 F17 -120.0(13) . . . . ?
O5 C14 C15 F18 -55.9(15) . . . . ?
C13 C14 C15 F18 123.1(13) . . . . ?
O5 C14 C15 F16 -170.8(11) . . . . ?
C13 C14 C15 F16 8.1(17) . . . . ?
F20 C16 C17 O7 166.5(7) . . . . ?
F21 C16 C17 O7 41.8(9) . . . . ?
F19 C16 C17 O7 -71.6(8) . . . . ?
F20 C16 C17 C18 -14.1(11) . . . . ?
F21 C16 C17 C18 -138.8(7) . . . . ?
F19 C16 C17 C18 107.8(8) . . . . ?
O7 C17 C18 C19 -0.3(11) . . . . ?
C16 C17 C18 C19 -179.6(7) . . . . ?
C17 C18 C19 O8 0.9(12) . . . . ?
C17 C18 C19 C20 -179.9(7) . . . . ?
O8 C19 C20 F24 -163.4(8) . . . . ?
C18 C19 C20 F24 17.3(12) . . . . ?
O8 C19 C20 F22 71.1(9) . . . . ?
C18 C19 C20 F22 -108.2(9) . . . . ?
O8 C19 C20 F23 -44.2(12) . . . . ?
C18 C19 C20 F23 136.5(9) . . . . ?
F26 C21 C22 O9 164.8(7) . . . . ?
F25 C21 C22 O9 46.1(10) . . . . ?
F27 C21 C22 O9 -70.8(9) . . . . ?
F26 C21 C22 C23 -12.0(11) . . . . ?
F25 C21 C22 C23 -130.7(8) . . . . ?
F27 C21 C22 C23 112.4(8) . . . . ?
O9 C22 C23 C24 1.6(12) . . . . ?
C21 C22 C23 C24 178.0(7) . . . . ?
C22 C23 C24 O10 -4.0(13) . . . . ?
C22 C23 C24 C25 178.7(7) . . . . ?
O10 C24 C25 F29 -12.3(13) . . . . ?
C23 C24 C25 F29 165.4(9) . . . . ?
O10 C24 C25 F30 108.8(9) . . . . ?
C23 C24 C25 F30 -73.4(11) . . . . ?
O10 C24 C25 F28 -138.1(8) . . . . ?
C23 C24 C25 F28 39.6(11) . . . . ?
F32 C26 C27 O11 -54.2(9) . . . . ?
F33 C26 C27 O11 63.0(9) . . . . ?
F31 C26 C27 O11 -172.8(7) . . . . ?
F32 C26 C27 C28 125.1(7) . . . . ?
F33 C26 C27 C28 -117.7(8) . . . . ?
F31 C26 C27 C28 6.5(10) . . . . ?
O11 C27 C28 C29 -1.2(12) . . . . ?
C26 C27 C28 C29 179.6(6) . . . . ?
C27 C28 C29 O12 -3.2(12) . . . . ?
C27 C28 C29 C30 174.8(6) . . . . ?
O12 C29 C30 F35 -164.2(7) . . . . ?
C28 C29 C30 F35 17.4(10) . . . . ?
O12 C29 C30 F36 -39.0(9) . . . . ?
C28 C29 C30 F36 142.6(7) . . . . ?
O12 C29 C30 F34 76.6(8) . . . . ?
C28 C29 C30 F34 -101.7(8) . . . . ?
F37 C31 C32 O14 56.8(9) . . . . ?
F39 C31 C32 O14 -67.1(8) . . . . ?
F38 C31 C32 O14 173.6(6) . . . . ?
F37 C31 C32 C33 -127.1(7) . . . . ?
F39 C31 C32 C33 109.0(8) . . . . ?
F38 C31 C32 C33 -10.4(9) . . . . ?
O14 C32 C33 C34 6.8(11) . . . . ?
C31 C32 C33 C34 -168.3(6) . . . . ?
C32 C33 C34 O13 -0.6(12) . . . . ?
C32 C33 C34 C35 179.0(7) . . . . ?
O13 C34 C35 F42 177.4(8) . . . . ?
C33 C34 C35 F42 -2.3(12) . . . . ?
O13 C34 C35 F40 -50.5(11) . . . . ?
C33 C34 C35 F40 129.8(8) . . . . ?
O13 C34 C35 F41 57.8(9) . . . . ?
C33 C34 C35 F41 -121.9(7) . . . . ?
F44 C36 C37 O16 -81.7(11) . . . . ?
F45 C36 C37 O16 46.5(11) . . . . ?
F43 C36 C37 O16 153.4(8) . . . . ?
F44 C36 C37 C38 94.2(11) . . . . ?
F45 C36 C37 C38 -137.6(9) . . . . ?
F43 C36 C37 C38 -30.7(12) . . . . ?
O16 C37 C38 C39 2.0(13) . . . . ?
C36 C37 C38 C39 -173.2(7) . . . . ?
C37 C38 C39 O15 2.9(12) . . . . ?
C37 C38 C39 C40 179.1(7) . . . . ?
O15 C39 C40 F47 178.2(7) . . . . ?
C38 C39 C40 F47 1.5(11) . . . . ?
O15 C39 C40 F48 -59.6(9) . . . . ?
C38 C39 C40 F48 123.7(8) . . . . ?
O15 C39 C40 F46 57.2(8) . . . . ?
C38 C39 C40 F46 -119.5(7) . . . . ?
F51 C41 C42 O18 81.4(8) . . . . ?
F50 C41 C42 O18 -156.4(6) . . . . ?
F49 C41 C42 O18 -41.6(9) . . . . ?
F51 C41 C42 C43 -93.0(8) . . . . ?
F50 C41 C42 C43 29.3(9) . . . . ?
F49 C41 C42 C43 144.1(7) . . . . ?
O18 C42 C43 C44 3.6(11) . . . . ?
C41 C42 C43 C44 177.3(7) . . . . ?
C42 C43 C44 O17 -0.5(13) . . . . ?
C42 C43 C44 C45 179.2(6) . . . . ?
O17 C44 C45 F52 92.1(7) . . . . ?
C43 C44 C45 F52 -87.7(8) . . . . ?
O17 C44 C45 F53' -88.9(8) . . . . ?
C43 C44 C45 F53' 91.3(8) . . . . ?
O17 C44 C45 F54 -28.0(9) . . . . ?
C43 C44 C45 F54 152.3(7) . . . . ?
O17 C44 C45 F54' 32.0(9) . . . . ?
C43 C44 C45 F54' -147.8(7) . . . . ?
O17 C44 C45 F52' 153.5(7) . . . . ?
C43 C44 C45 F52' -26.2(9) . . . . ?
O17 C44 C45 F53 -149.9(6) . . . . ?
C43 C44 C45 F53 30.3(9) . . . . ?
F55 C46 C47 O19 -175.4(7) . . . . ?
F57 C46 C47 O19 62.9(9) . . . . ?
F56 C46 C47 O19 -51.5(9) . . . . ?
F55 C46 C47 C48 11.0(10) . . . . ?
F57 C46 C47 C48 -110.6(8) . . . . ?
F56 C46 C47 C48 134.9(8) . . . . ?
O19 C47 C48 C49 1.5(16) . . . . ?
C46 C47 C48 C49 174.6(9) . . . . ?
C47 C48 C49 O20 2.1(16) . . . . ?
C47 C48 C49 C50 -174.2(11) . . . . ?
O20 C49 C50 F59 -178.1(11) . . . . ?
C48 C49 C50 F59 -1.4(19) . . . . ?
O20 C49 C50 F58 69.7(13) . . . . ?
C48 C49 C50 F58 -113.6(14) . . . . ?
O20 C49 C50 F60 -36.9(15) . . . . ?
C48 C49 C50 F60 139.8(13) . . . . ?
N9 C67 C68 C69 -0.6(9) . . . . ?
N9 C67 C68 C66 -177.0(5) . . . . ?
N6 C66 C68 C67 -2.9(9) . . . . ?
N8 C66 C68 C67 178.1(5) . . . . ?
N6 C66 C68 C69 -179.4(6) . . . . ?
N8 C66 C68 C69 1.7(9) . . . . ?
C67 C68 C69 C70 0.5(9) . . . . ?
C66 C68 C69 C70 176.8(6) . . . . ?
C68 C69 C70 C71 0.8(10) . . . . ?
C69 C70 C71 N9 -2.1(11) . . . . ?
N10 C72 C73 C74 1.3(9) . . . . ?
C72 C73 C74 C75 -0.1(9) . . . . ?
C73 C74 C75 C76 0.0(8) . . . . ?
C73 C74 C75 C77 -179.6(5) . . . . ?
C74 C75 C76 N10 -1.0(8) . . . . ?
C77 C75 C76 N10 178.6(5) . . . . ?
C76 C75 C77 N11 173.0(5) . . . . ?
C74 C75 C77 N11 -7.4(8) . . . . ?
C76 C75 C77 N14 -5.4(8) . . . . ?
C74 C75 C77 N14 174.2(5) . . . . ?
N19 C93 C94 C95 1.1(8) . . . . ?
N19 C93 C94 C92 -178.0(5) . . . . ?
N17 C92 C94 C93 -177.1(5) . . . . ?
N16 C92 C94 C93 6.7(8) . . . . ?
N17 C92 C94 C95 3.9(8) . . . . ?
N16 C92 C94 C95 -172.2(5) . . . . ?
C93 C94 C95 C96 -1.6(9) . . . . ?
C92 C94 C95 C96 177.4(6) . . . . ?
C94 C95 C96 C97 1.5(10) . . . . ?
C95 C96 C97 N19 -0.8(11) . . . . ?
N20 C98 C99 C100 -1.0(9) . . . . ?
N20 C98 C99 C52 177.2(6) . . . 1_574 ?
C98 C99 C100 C101 -0.9(10) . . . . ?
C52 C99 C100 C101 -179.0(6) 1_574 . . . ?
C99 C100 C101 C102 1.2(10) . . . . ?
C100 C101 C102 N20 0.5(10) . . . . ?
C103 C104 C105 C106 -173.2(15) . . . . ?
C104 C105 C106 C107 179.0(16) . . . . ?
C105 C106 C107 C108 -174.4(12) . . . . ?
C106 C107 C108 C109 175.3(16) . . . . ?
O21 C51 N1 N2 -178.2(6) . . . . ?
N4 C51 N1 N2 -1.6(10) . . . . ?
O21 C51 N1 C54 0.6(10) . . . . ?
N4 C51 N1 C54 177.3(6) . . . . ?
C53 C54 N1 C51 122.7(8) . . . . ?
C55 C54 N1 C51 -116.0(8) . . . . ?
C53 C54 N1 N2 -58.3(8) . . . . ?
C55 C54 N1 N2 62.9(8) . . . . ?
N3 C52 N2 N1 0.6(10) . . . . ?
C99 C52 N2 N1 177.8(5) 1_536 . . . ?
C51 N1 N2 C52 0.4(9) . . . . ?
C54 N1 N2 C52 -178.5(5) . . . . ?
N2 C52 N3 N4 -0.5(10) . . . . ?
C99 C52 N3 N4 -177.6(6) 1_536 . . . ?
O21 C51 N4 N3 178.5(6) . . . . ?
N1 C51 N4 N3 1.8(10) . . . . ?
O21 C51 N4 C57 -6.4(11) . . . . ?
N1 C51 N4 C57 176.9(7) . . . . ?
C52 N3 N4 C51 -0.8(10) . . . . ?
C52 N3 N4 C57 -176.6(6) . . . . ?
C58 C57 N4 C51 118.6(9) . . . . ?
C56 C57 N4 C51 -115.0(9) . . . . ?
C58 C57 N4 N3 -65.7(10) . . . . ?
C56 C57 N4 N3 60.7(8) . . . . ?
O22 C62 N5 N6 -175.4(6) . . . . ?
N7 C62 N5 N6 7.4(10) . . . . ?
O22 C62 N5 C64 5.6(11) . . . . ?
N7 C62 N5 C64 -171.6(7) . . . . ?
C65 C64 N5 C62 -123.4(8) . . . . ?
C63 C64 N5 C62 111.8(9) . . . . ?
C65 C64 N5 N6 57.5(9) . . . . ?
C63 C64 N5 N6 -67.2(9) . . . . ?
N8 C66 N6 N5 4.2(11) . . . . ?
C68 C66 N6 N5 -174.6(6) . . . . ?
C62 N5 N6 C66 -7.8(10) . . . . ?
C64 N5 N6 C66 171.3(6) . . . . ?
O22 C62 N7 N8 179.8(6) . . . . ?
N5 C62 N7 N8 -3.2(10) . . . . ?
O22 C62 N7 C60 3.1(10) . . . . ?
N5 C62 N7 C60 -179.8(6) . . . . ?
C61 C60 N7 C62 -144.4(7) . . . . ?
C59 C60 N7 C62 97.2(8) . . . . ?
C61 C60 N7 N8 38.7(9) . . . . ?
C59 C60 N7 N8 -79.7(7) . . . . ?
N6 C66 N8 N7 0.1(9) . . . . ?
C68 C66 N8 N7 178.8(5) . . . . ?
C62 N7 N8 C66 -0.7(8) . . . . ?
C60 N7 N8 C66 176.2(5) . . . . ?
C70 C71 N9 C67 1.9(9) . . . . ?
C70 C71 N9 Cu1 179.3(5) . . . . ?
C68 C67 N9 C71 -0.5(8) . . . . ?
C68 C67 N9 Cu1 -178.0(4) . . . . ?
C73 C72 N10 C76 -2.3(8) . . . . ?
C73 C72 N10 Cu1 175.3(4) . . . . ?
C75 C76 N10 C72 2.2(8) . . . . ?
C75 C76 N10 Cu1 -175.5(4) . . . . ?
N14 C77 N11 N12 -3.6(8) . . . . ?
C75 C77 N11 N12 178.3(4) . . . . ?
O23 C84 N12 N11 172.0(5) . . . . ?
N13 C84 N12 N11 -4.3(8) . . . . ?
O23 C84 N12 C82 -1.9(9) . . . . ?
N13 C84 N12 C82 -178.2(5) . . . . ?
C77 N11 N12 C84 5.6(7) . . . . ?
C77 N11 N12 C82 179.8(5) . . . . ?
C81 C82 N12 C84 -140.9(6) . . . . ?
C83 C82 N12 C84 95.1(7) . . . . ?
C81 C82 N12 N11 44.7(7) . . . . ?
C83 C82 N12 N11 -79.2(7) . . . . ?
O23 C84 N13 N14 -175.7(6) . . . . ?
N12 C84 N13 N14 0.5(9) . . . . ?
O23 C84 N13 C79 0.1(10) . . . . ?
N12 C84 N13 C79 176.3(5) . . . . ?
C78 C79 N13 N14 -59.5(7) . . . . ?
C80 C79 N13 N14 65.5(7) . . . . ?
C78 C79 N13 C84 124.2(7) . . . . ?
C80 C79 N13 C84 -110.7(7) . . . . ?
N11 C77 N14 N13 0.2(9) . . . . ?
C75 C77 N14 N13 178.4(5) . . . . ?
C84 N13 N14 C77 1.5(8) . . . . ?
C79 N13 N14 C77 -174.7(5) . . . . ?
O24 C85 N15 N16 -173.6(5) . . . . ?
N18 C85 N15 N16 3.4(8) . . . . ?
O24 C85 N15 C90 -1.3(10) . . . . ?
N18 C85 N15 C90 175.7(6) . . . . ?
C89 C90 N15 C85 133.9(8) . . . . ?
C91 C90 N15 C85 -100.1(8) . . . . ?
C89 C90 N15 N16 -53.1(9) . . . . ?
C91 C90 N15 N16 72.8(9) . . . . ?
N17 C92 N16 N15 2.3(9) . . . . ?
C94 C92 N16 N15 178.0(5) . . . . ?
C85 N15 N16 C92 -3.9(8) . . . . ?
C90 N15 N16 C92 -176.8(6) . . . . ?
N16 C92 N17 N18 -0.3(9) . . . . ?
C94 C92 N17 N18 -175.8(5) . . . . ?
O24 C85 N18 N17 175.8(5) . . . . ?
N15 C85 N18 N17 -1.2(8) . . . . ?
O24 C85 N18 C87 -5.2(9) . . . . ?
N15 C85 N18 C87 177.8(5) . . . . ?
C92 N17 N18 C85 -0.4(8) . . . . ?
C92 N17 N18 C87 -179.4(5) . . . . ?
C86 C87 N18 C85 -125.7(7) . . . . ?
C88 C87 N18 C85 111.4(7) . . . . ?
C86 C87 N18 N17 53.4(8) . . . . ?
C88 C87 N18 N17 -69.5(7) . . . . ?
C96 C97 N19 C93 0.1(9) . . . . ?
C96 C97 N19 Cu2 -176.8(5) . . . . ?
C94 C93 N19 C97 -0.3(8) . . . . ?
C94 C93 N19 Cu2 176.8(4) . . . . ?
C101 C102 N20 C98 -2.4(9) . . . . ?
C101 C102 N20 Cu2 176.0(5) . . . . ?
C99 C98 N20 C102 2.7(9) . . . . ?
C99 C98 N20 Cu2 -175.7(4) . . . . ?
C3 C2 O1 Cu2 -11.1(8) . . . . ?
C1 C2 O1 Cu2 167.1(4) . . . . ?
C3 C4 O2 Cu2 13.7(9) . . . . ?
C5 C4 O2 Cu2 -165.6(4) . . . . ?
C8 C7 O3 Cu2 -8.3(9) . . . . ?
C6 C7 O3 Cu2 173.6(4) . . . . ?
C8 C9 O4 Cu2 0.2(8) . . . . ?
C10 C9 O4 Cu2 -178.3(4) . . . . ?
C13 C14 O5 Dy2 8.9(16) . . . . ?
C15 C14 O5 Dy2 -172.2(7) . . . . ?
C13 C12 O6 Dy2 -3.9(13) . . . . ?
C11 C12 O6 Dy2 172.2(5) . . . . ?
C18 C17 O7 Dy2 -2.7(10) . . . . ?
C16 C17 O7 Dy2 176.6(4) . . . . ?
C18 C19 O8 Dy2 1.7(12) . . . . ?
C20 C19 O8 Dy2 -177.5(5) . . . . ?
C23 C22 O9 Dy2 -7.8(11) . . . . ?
C21 C22 O9 Dy2 175.7(5) . . . . ?
C23 C24 O10 Dy2 12.0(13) . . . . ?
C25 C24 O10 Dy2 -170.5(5) . . . . ?
C28 C27 O11 Cu1 -3.1(10) . . . . ?
C26 C27 O11 Cu1 176.1(4) . . . . ?
C28 C29 O12 Cu1 10.4(10) . . . . ?
C30 C29 O12 Cu1 -167.6(5) . . . . ?
C33 C34 O13 Cu1 -16.9(10) . . . . ?
C35 C34 O13 Cu1 163.5(5) . . . . ?
C33 C32 O14 Cu1 6.2(9) . . . . ?
C31 C32 O14 Cu1 -178.3(4) . . . . ?
C38 C39 O15 Dy1 -2.1(10) . . . . ?
C40 C39 O15 Dy1 -178.4(4) . . . . ?
C38 C37 O16 Dy1 -7.8(13) . . . . ?
C36 C37 O16 Dy1 167.7(5) . . . . ?
C43 C44 O17 Dy1 -3.6(13) . . . . ?
C45 C44 O17 Dy1 176.7(4) . . . . ?
C43 C42 O18 Dy1 -2.9(11) . . . . ?
C41 C42 O18 Dy1 -176.9(4) . . . . ?
C48 C47 O19 Dy1 -2.7(14) . . . . ?
C46 C47 O19 Dy1 -175.7(4) . . . . ?
C48 C49 O20 Dy1 -4.6(13) . . . . ?
C50 C49 O20 Dy1 172.5(7) . . . . ?
N1 C51 O21 Dy1 -97.5(8) . . . . ?
N4 C51 O21 Dy1 86.0(9) . . . . ?
N13 C84 O23 Dy2 -72.0(14) . . . . ?
N12 C84 O23 Dy2 112.0(11) . . . . ?
N18 C85 O24 Dy2 115.2(7) . . . . ?
N15 C85 O24 Dy2 -68.0(9) . . . . ?


_refine_diff_density_max         1.654
_refine_diff_density_min         -1.609
_refine_diff_density_rms         0.108

_shelxl_version_number           2013-2

