# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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_Cu10
_audit_block_doi                 10.5517/ccdc.csd.cc2c89rq
_database_code_depnum_ccdc_archive 'CCDC 2182733'
loop_
_audit_author_name
_audit_author_address
'Sukao Peng'
;Jinan University
China
;
_audit_update_record             
;
2022-06-29 deposited with the CCDC.	2022-08-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C93 H74 Cl6 Cu10 F36 N14'
_chemical_formula_weight         2919.76

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.3985(3)
_cell_length_b                   18.9186(3)
_cell_length_c                   18.9345(4)
_cell_angle_alpha                84.894(2)
_cell_angle_beta                 80.260(2)
_cell_angle_gamma                84.424(2)
_cell_volume                     5395.91(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    28735
_cell_measurement_theta_min      2.8710
_cell_measurement_theta_max      77.2270

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.797
_exptl_crystal_F_000             2892
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    4.481
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            64758
_diffrn_reflns_av_unetI/netI     0.0717
_diffrn_reflns_av_R_equivalents  0.0749
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.353
_diffrn_reflns_theta_max         77.773
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             22079
_reflns_number_gt                18638
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1028P)²+51.0872P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         22079
_refine_ls_number_parameters     1417
_refine_ls_number_restraints     21
_refine_ls_R_factor_all          0.1070
_refine_ls_R_factor_gt           0.0867
_refine_ls_wR_factor_ref         0.2245
_refine_ls_wR_factor_gt          0.2162
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu8 Cu 0.49829(5) 0.58243(4) -0.10675(4) 0.01761(18) Uani 1 1 d . . . . .
Cu3 Cu 0.16955(6) 0.05483(4) 0.58512(5) 0.01973(19) Uani 1 1 d . . . . .
Cu5 Cu -0.02097(5) 0.19537(4) 0.53518(5) 0.01841(18) Uani 1 1 d . . . . .
Cu10 Cu 0.39468(5) 0.33676(4) -0.01800(5) 0.01784(18) Uani 1 1 d . . . . .
Cu9 Cu 0.45743(5) 0.45466(4) -0.04092(5) 0.01885(18) Uani 1 1 d . . . . .
Cu1 Cu 0.04347(6) -0.06882(4) 0.60863(5) 0.02066(19) Uani 1 1 d . . . . .
Cu4 Cu 0.04029(6) 0.07225(4) 0.50530(5) 0.01988(19) Uani 1 1 d . . . . .
Cu7 Cu 0.33161(5) 0.52320(4) -0.10991(5) 0.01994(19) Uani 1 1 d . . . . .
Cu2 Cu 0.14960(5) -0.04906(4) 0.48276(5) 0.01969(18) Uani 1 1 d . . . . .
Cu6 Cu 0.37708(5) 0.59180(4) 0.01666(5) 0.01874(18) Uani 1 1 d . . . . .
F1 F -0.1689(3) 0.2297(2) 0.6393(2) 0.0383(10) Uani 1 1 d . . . . .
F37 F 0.2810(3) 0.7130(3) 0.0915(3) 0.0446(11) Uani 1 1 d . . . . .
F36 F 0.1225(3) 0.5541(2) -0.1553(3) 0.0449(11) Uani 1 1 d . . . . .
F38 F 0.1497(3) 0.6846(2) 0.1336(2) 0.0414(10) Uani 1 1 d . . . . .
F2 F -0.2846(3) 0.2909(3) 0.6107(3) 0.0491(12) Uani 1 1 d . . . . .
F4 F -0.1345(3) 0.5062(2) 0.4103(3) 0.0475(11) Uani 1 1 d . . . . .
F25 F 0.4573(3) 0.0087(2) -0.0713(3) 0.0443(11) Uani 1 1 d . . . . .
F3 F -0.2053(3) 0.3336(2) 0.6760(2) 0.0494(12) Uani 1 1 d . . . . .
F39 F 0.1674(3) 0.7817(2) 0.0685(3) 0.0471(11) Uani 1 1 d . . . . .
F34 F 0.1847(3) 0.6435(3) -0.2126(2) 0.0506(12) Uani 1 1 d . . . . .
F16 F 0.2524(4) 0.1066(3) 0.7010(2) 0.0520(13) Uani 1 1 d . . . . .
F26 F 0.5752(3) 0.0628(2) -0.0817(3) 0.0467(11) Uani 1 1 d . . . . .
F35 F 0.0548(3) 0.6577(3) -0.1534(3) 0.0512(12) Uani 1 1 d . . . . .
F7 F 0.4681(3) 0.1353(3) 0.4929(3) 0.0529(13) Uani 1 1 d . . . . .
F27 F 0.4876(4) 0.0886(2) -0.1583(2) 0.0503(12) Uani 1 1 d . . . . .
F18 F 0.2489(4) 0.0720(3) 0.8128(3) 0.0525(13) Uani 1 1 d . . . . .
N5 N -0.0739(3) 0.2911(2) 0.5197(3) 0.0208(10) Uani 1 1 d . . . . .
F17 F 0.1421(4) 0.1388(2) 0.7779(3) 0.0576(14) Uani 1 1 d . . . . .
N12 N 0.3976(3) 0.2337(3) -0.0096(3) 0.0213(10) Uani 1 1 d . . . . .
N1 N 0.0970(3) -0.0518(3) 0.6920(3) 0.0213(10) Uani 1 1 d . . . . .
N8 N 0.2426(3) 0.5985(3) -0.0696(3) 0.0199(10) Uani 1 1 d . . . . .
N3 N 0.2686(3) -0.0147(3) 0.4698(3) 0.0230(10) Uani 1 1 d . . . . .
N7 N 0.2602(3) 0.6236(3) -0.0094(3) 0.0210(7) Uani 1 1 d . . . . .
N10 N 0.4726(3) 0.5782(3) -0.2054(3) 0.0210(10) Uani 1 1 d . . . . .
N9 N 0.3995(3) 0.5440(2) -0.2078(3) 0.0198(10) Uani 1 1 d . . . . .
F32 F 0.6622(3) 0.5850(3) -0.3262(3) 0.0636(15) Uani 1 1 d . . . . .
N2 N 0.1435(3) 0.0068(3) 0.6836(3) 0.0227(10) Uani 1 1 d . . . . .
F33 F 0.6273(4) 0.6397(4) -0.2324(3) 0.0699(18) Uani 1 1 d . . . . .
F6 F -0.0751(5) 0.4305(3) 0.3375(3) 0.079(2) Uani 1 1 d . . . . .
N6 N -0.0401(3) 0.3337(3) 0.4614(3) 0.0210(7) Uani 1 1 d . . . . .
F31 F 0.5909(3) 0.6846(3) -0.3320(4) 0.0706(18) Uani 1 1 d . . . . .
N11 N 0.4456(3) 0.1968(3) -0.0632(3) 0.0225(10) Uani 1 1 d . . . . .
N13 N 0.4951(3) 0.2707(2) -0.2032(3) 0.0208(10) Uani 1 1 d . . . . .
H13A H 0.480831 0.243386 -0.156901 0.025 Uiso 1 1 calc R U . . .
N4 N 0.2769(3) 0.0381(3) 0.5124(3) 0.0228(10) Uani 1 1 d . . . . .
F9 F 0.3980(4) 0.1023(4) 0.5941(3) 0.078(2) Uani 1 1 d . . . . .
N14 N 0.1330(4) 0.2881(3) 0.3868(3) 0.0260(11) Uani 1 1 d . . . . .
H14 H 0.072202 0.303319 0.407810 0.031 Uiso 1 1 calc R U . . .
F8 F 0.3338(4) 0.1758(3) 0.5238(5) 0.092(3) Uani 1 1 d . . . . .
F15 F 0.2817(14) -0.1126(10) 0.3736(8) 0.0651(16) Uani 0.5 1 d . . P A 1
C31 C 0.0767(4) 0.0184(3) 0.4186(3) 0.0203(6) Uani 1 1 d . . . . .
C68 C 0.3396(4) 0.4287(3) -0.0591(3) 0.0181(11) Uani 1 1 d . . . . .
F20 F 0.0445(5) -0.1615(3) 0.8527(3) 0.083(2) Uani 1 1 d . . . . .
F21 F -0.0417(4) -0.1371(3) 0.7771(5) 0.105(3) Uani 1 1 d . . . . .
F29 F 0.3595(4) 0.4444(4) -0.3369(5) 0.101(3) Uani 1 1 d . . . . .
C83 C 0.5544(4) 0.3260(3) 0.0596(3) 0.0183(11) Uani 1 1 d . . . . .
F5 F 0.0035(4) 0.4753(4) 0.4002(5) 0.114(4) Uani 1 1 d . . . . .
C38 C -0.1462(4) 0.1394(3) 0.4467(3) 0.0203(6) Uani 1 1 d . . . . .
C75 C 0.6544(4) 0.4859(3) -0.1078(3) 0.0209(11) Uani 1 1 d . . . . .
C76 C 0.5728(4) 0.4895(3) -0.0871(3) 0.0178(11) Uani 1 1 d . . . . .
C84 C 0.5012(4) 0.3577(3) 0.0200(3) 0.0203(6) Uani 1 1 d . . . . .
C74 C 0.7456(4) 0.4914(3) -0.1400(3) 0.0210(11) Uani 1 1 d . . . . .
F19 F 0.0774(5) -0.1959(3) 0.7498(4) 0.094(3) Uani 1 1 d . . . . .
C66 C 0.2142(4) 0.2765(3) -0.0824(4) 0.0256(13) Uani 1 1 d . . . . .
H66 H 0.267505 0.248510 -0.083429 0.031 Uiso 1 1 calc R U . . .
C28 C 0.1125(4) -0.0230(3) 0.2857(3) 0.0223(12) Uani 1 1 d . . . . .
C65 C 0.2111(4) 0.3483(3) -0.0713(3) 0.0186(8) Uani 1 1 d . U . . .
C67 C 0.2884(4) 0.3814(3) -0.0611(3) 0.0186(8) Uani 1 1 d . U . . .
C73 C 0.7754(4) 0.4722(3) -0.2101(3) 0.0263(13) Uani 1 1 d . . . . .
H73 H 0.736284 0.456694 -0.236565 0.032 Uiso 1 1 calc R U . . .
C21 C 0.0914(4) 0.2488(3) 0.6413(3) 0.0210(11) Uani 1 1 d . . . . .
C30 C 0.0873(4) 0.0019(3) 0.3564(3) 0.0203(6) Uani 1 1 d . . . . .
C29 C 0.0707(4) -0.0776(3) 0.2638(3) 0.0258(13) Uani 1 1 d . . . . .
H29 H 0.024440 -0.097286 0.294919 0.031 Uiso 1 1 calc R U . . .
C22 C 0.0752(4) 0.1925(3) 0.6001(3) 0.0204(11) Uani 1 1 d . . . . .
C39 C -0.0789(4) 0.1361(3) 0.4775(3) 0.0198(11) Uani 1 1 d . . . . .
F22 F 0.2930(5) 0.1586(4) 0.1584(4) 0.0620(11) Uani 0.75 1 d . U P B 1
C59 C 0.1989(4) 0.6771(3) 0.0097(3) 0.0236(12) Uani 1 1 d . . . . .
C57 C 0.1698(4) 0.6366(3) -0.0871(3) 0.0228(12) Uani 1 1 d . . . . .
C23 C 0.0788(4) 0.1340(3) 0.5736(3) 0.0214(11) Uani 1 1 d . . . . .
C2 C -0.1471(4) 0.3273(3) 0.5537(4) 0.0268(13) Uani 1 1 d . . . . .
C12 C 0.0845(4) -0.0747(3) 0.7615(3) 0.0225(12) Uani 1 1 d . . . . .
C82 C 0.6049(4) 0.2627(3) 0.0854(3) 0.0236(12) Uani 1 1 d . . . . .
C47 C 0.3629(4) 0.1860(3) 0.0428(4) 0.0264(13) Uani 1 1 d . . . . .
C69 C 0.8050(4) 0.5151(3) -0.1010(4) 0.0255(12) Uani 1 1 d . . . . .
H69 H 0.785630 0.528004 -0.054322 0.031 Uiso 1 1 calc R U . . .
C55 C 0.5963(4) 0.6261(4) -0.2900(4) 0.0286(13) Uani 1 1 d . . . . .
C49 C 0.4398(4) 0.1272(3) -0.0423(4) 0.0245(12) Uani 1 1 d . . . . .
C54 C 0.5133(4) 0.5901(3) -0.2734(3) 0.0221(12) Uani 1 1 d . . . . .
C7 C 0.3449(4) -0.0257(4) 0.4259(4) 0.0289(14) Uani 1 1 d . . . . .
C90 C 0.5612(4) 0.3863(3) -0.2534(4) 0.0279(13) Uani 1 1 d . . . . .
H90A H 0.518584 0.393417 -0.285460 0.042 Uiso 1 1 calc R U . . .
H90B H 0.615111 0.363234 -0.277203 0.042 Uiso 1 1 calc R U . . .
H90C H 0.572676 0.431554 -0.239203 0.042 Uiso 1 1 calc R U . . .
C64 C 0.1295(4) 0.3899(4) -0.0688(4) 0.0289(13) Uani 1 1 d . . . . .
H64 H 0.126166 0.437967 -0.060971 0.035 Uiso 1 1 calc R U . . .
C37 C -0.2189(4) 0.1754(3) 0.4136(3) 0.0219(12) Uani 1 1 d . . . . .
C52 C 0.3961(4) 0.5355(3) -0.2768(3) 0.0226(12) Uani 1 1 d . . . . .
C81 C 0.6482(4) 0.2619(3) 0.1446(4) 0.0270(13) Uani 1 1 d . . . . .
H81 H 0.644370 0.302299 0.169929 0.032 Uiso 1 1 calc R U . . .
C86 C 0.5653(4) 0.2261(3) -0.2486(4) 0.0283(13) Uani 1 1 d . . . . .
H86A H 0.580086 0.251025 -0.295483 0.034 Uiso 1 1 calc R U . . .
H86B H 0.542351 0.181678 -0.255273 0.034 Uiso 1 1 calc R U . . .
F30 F 0.2718(5) 0.5344(3) -0.3310(6) 0.119(4) Uani 1 1 d . . . . .
C9 C 0.3594(4) 0.0587(4) 0.4922(4) 0.0286(14) Uani 1 1 d . . . . .
C56 C 0.1340(4) 0.6234(3) -0.1525(4) 0.0278(13) Uani 1 1 d . . . . .
C60 C 0.1997(4) 0.7138(4) 0.0747(4) 0.0300(14) Uani 1 1 d . . . . .
F23 F 0.3201(5) 0.2668(4) 0.1306(4) 0.0620(11) Uani 0.75 1 d . . P B 1
C14 C 0.1574(4) 0.0191(3) 0.7495(3) 0.0238(12) Uani 1 1 d . . . . .
C89 C 0.5254(4) 0.3404(3) -0.1877(3) 0.0254(13) Uani 1 1 d . . . . .
H89A H 0.476002 0.367137 -0.160418 0.030 Uiso 1 1 calc R U . . .
H89B H 0.571002 0.330307 -0.157679 0.030 Uiso 1 1 calc R U . . .
C16 C 0.1754(4) 0.2743(3) 0.6332(3) 0.0257(12) Uani 1 1 d . . . . .
H16 H 0.221375 0.255028 0.600238 0.031 Uiso 1 1 calc R U . . .
C8 C 0.4056(4) 0.0198(4) 0.4372(4) 0.0343(16) Uani 1 1 d . . . . .
H8 H 0.463279 0.023366 0.413641 0.041 Uiso 1 1 calc R U . . .
C1 C -0.2008(5) 0.2953(4) 0.6192(4) 0.0323(14) Uani 1 1 d . . . . .
C19 C 0.0399(5) 0.3318(4) 0.7318(4) 0.0338(15) Uani 1 1 d . . . . .
H19 H -0.005213 0.350588 0.765847 0.041 Uiso 1 1 calc R U . . .
C20 C 0.0234(4) 0.2794(4) 0.6915(4) 0.0284(13) Uani 1 1 d . . . . .
H20 H -0.033080 0.264016 0.697468 0.034 Uiso 1 1 calc R U . . .
C72 C 0.8639(4) 0.4764(3) -0.2401(4) 0.0294(14) Uani 1 1 d . . . . .
H72 H 0.883980 0.462970 -0.286504 0.035 Uiso 1 1 calc R U . . .
C58 C 0.1396(4) 0.6872(3) -0.0386(4) 0.0269(13) Uani 1 1 d . . . . .
H58 H 0.090883 0.720318 -0.038276 0.032 Uiso 1 1 calc R U . . .
C53 C 0.4674(4) 0.5636(3) -0.3215(3) 0.0272(13) Uani 1 1 d . . . . .
H53 H 0.481287 0.564554 -0.371288 0.033 Uiso 1 1 calc R U . . .
C70 C 0.8928(4) 0.5195(4) -0.1319(4) 0.0297(14) Uani 1 1 d . . . . .
H70 H 0.932246 0.535194 -0.105792 0.036 Uiso 1 1 calc R U . . .
C71 C 0.9220(4) 0.5005(3) -0.2014(4) 0.0304(14) Uani 1 1 d . . . . .
H71 H 0.980808 0.503892 -0.222033 0.036 Uiso 1 1 calc R U . . .
C27 C 0.1819(5) 0.0060(4) 0.2380(4) 0.0327(15) Uani 1 1 d . . . . .
H27 H 0.210966 0.041957 0.252001 0.039 Uiso 1 1 calc R U . . .
C51 C 0.3259(4) 0.4965(3) -0.2972(4) 0.0288(13) Uani 1 1 d . . . . .
C41 C 0.1374(4) 0.2086(3) 0.3826(4) 0.0293(14) Uani 1 1 d . . . . .
H41A H 0.122637 0.186355 0.430718 0.035 Uiso 1 1 calc R U . . .
H41B H 0.093122 0.198037 0.355057 0.035 Uiso 1 1 calc R U . . .
F28 F 0.2789(5) 0.4643(5) -0.2418(4) 0.116(4) Uani 1 1 d . . . . .
C18 C 0.1229(5) 0.3574(3) 0.7225(4) 0.0338(15) Uani 1 1 d . . . . .
H18 H 0.132842 0.394061 0.748987 0.041 Uiso 1 1 calc R U . . .
C61 C 0.1394(4) 0.2458(3) -0.0919(4) 0.0281(13) Uani 1 1 d . . . . .
H61 H 0.142658 0.197654 -0.099687 0.034 Uiso 1 1 calc R U . . .
C42 C 0.1922(5) 0.3075(4) 0.4371(4) 0.0314(14) Uani 1 1 d . . . . .
H42A H 0.185649 0.274739 0.479742 0.038 Uiso 1 1 calc R U . . .
H42B H 0.253240 0.301473 0.413658 0.038 Uiso 1 1 calc R U . . .
C88 C 0.4108(4) 0.2834(4) -0.2349(4) 0.0305(14) Uani 1 1 d . . . . .
H88A H 0.423500 0.308278 -0.282025 0.037 Uiso 1 1 calc R U . . .
H88B H 0.368811 0.314104 -0.204800 0.037 Uiso 1 1 calc R U . . .
C24 C 0.0972(5) -0.1029(4) 0.1960(4) 0.0312(14) Uani 1 1 d . . . . .
H24 H 0.069182 -0.139492 0.182087 0.037 Uiso 1 1 calc R U . . .
C11 C 0.0398(5) -0.1406(4) 0.7857(4) 0.0306(14) Uani 1 1 d . . . . .
C15 C 0.2014(5) 0.0835(4) 0.7600(4) 0.0349(15) Uani 1 1 d . . . . .
C87 C 0.3688(5) 0.2160(4) -0.2419(4) 0.0346(15) Uani 1 1 d . . . . .
H87A H 0.404024 0.190094 -0.279473 0.052 Uiso 1 1 calc R U . . .
H87B H 0.310436 0.227965 -0.253221 0.052 Uiso 1 1 calc R U . . .
H87C H 0.365122 0.187065 -0.197315 0.052 Uiso 1 1 calc R U . . .
C36 C -0.2190(5) 0.2501(3) 0.3987(4) 0.0307(14) Uani 1 1 d . . . . .
H36 H -0.174123 0.274448 0.410124 0.037 Uiso 1 1 calc R U . . .
C13 C 0.1211(4) -0.0306(3) 0.8017(3) 0.0252(12) Uani 1 1 d . . . . .
H13 H 0.121171 -0.033775 0.850962 0.030 Uiso 1 1 calc R U . . .
C17 C 0.1905(5) 0.3280(4) 0.6738(4) 0.0309(14) Uani 1 1 d . . . . .
H17 H 0.246519 0.344289 0.668066 0.037 Uiso 1 1 calc R U . . .
C63 C 0.0544(5) 0.3593(4) -0.0781(4) 0.0356(16) Uani 1 1 d . . . . .
H63 H 0.000727 0.386734 -0.076648 0.043 Uiso 1 1 calc R U . . .
C85 C 0.6484(4) 0.2101(4) -0.2150(4) 0.0309(14) Uani 1 1 d . . . . .
H85A H 0.687341 0.175273 -0.241250 0.046 Uiso 1 1 calc R U . . .
H85B H 0.632931 0.191916 -0.165966 0.046 Uiso 1 1 calc R U . . .
H85C H 0.677502 0.252974 -0.216555 0.046 Uiso 1 1 calc R U . . .
C3 C -0.1620(5) 0.3929(3) 0.5185(4) 0.0334(15) Uani 1 1 d . . . . .
H3 H -0.207391 0.428090 0.530533 0.040 Uiso 1 1 calc R U . . .
C62 C 0.0599(4) 0.2867(4) -0.0898(4) 0.0340(15) Uani 1 1 d . . . . .
H62 H 0.009619 0.266050 -0.096158 0.041 Uiso 1 1 calc R U . . .
C32 C -0.2860(4) 0.1405(4) 0.3958(4) 0.0304(14) Uani 1 1 d . . . . .
H32 H -0.285514 0.091340 0.404457 0.036 Uiso 1 1 calc R U . . .
C6 C 0.3563(5) -0.0818(4) 0.3747(5) 0.0405(18) Uani 1 1 d . . . . .
C25 C 0.1656(5) -0.0733(4) 0.1497(4) 0.0361(16) Uani 1 1 d . . . . .
H25 H 0.183899 -0.089997 0.104375 0.043 Uiso 1 1 calc R U . . .
C34 C -0.3541(5) 0.2501(4) 0.3510(4) 0.0382(17) Uani 1 1 d . . . . .
H34 H -0.399781 0.275160 0.330550 0.046 Uiso 1 1 calc R U . . .
C44 C 0.1514(5) 0.3281(4) 0.3142(4) 0.0307(14) Uani 1 1 d . . . . .
H44A H 0.212702 0.317135 0.293385 0.037 Uiso 1 1 calc R U . . .
H44B H 0.142757 0.378827 0.320204 0.037 Uiso 1 1 calc R U . . .
C4 C -0.0934(4) 0.3942(3) 0.4610(4) 0.0304(14) Uani 1 1 d . . . . .
C78 C 0.6591(5) 0.1408(4) 0.0682(5) 0.0426(18) Uani 1 1 d . . . . .
H78 H 0.662381 0.100143 0.043293 0.051 Uiso 1 1 calc R U . . .
C48 C 0.3881(5) 0.1177(3) 0.0243(4) 0.0317(14) Uani 1 1 d . . . . .
H48 H 0.373806 0.075260 0.050374 0.038 Uiso 1 1 calc R U . . .
C80 C 0.6970(5) 0.2003(4) 0.1651(4) 0.0376(16) Uani 1 1 d . . . . .
H80 H 0.726052 0.199340 0.204492 0.045 Uiso 1 1 calc R U . . .
C79 C 0.7027(5) 0.1396(4) 0.1270(5) 0.0438(19) Uani 1 1 d . . . . .
H79 H 0.735710 0.098428 0.140842 0.053 Uiso 1 1 calc R U . . .
C26 C 0.2073(5) -0.0182(4) 0.1708(4) 0.0392(17) Uani 1 1 d . . . . .
H26 H 0.252674 0.002189 0.139173 0.047 Uiso 1 1 calc R U . . .
C40 C 0.2261(5) 0.1763(4) 0.3488(4) 0.0391(17) Uani 1 1 d . . . . .
H40A H 0.236322 0.190920 0.298395 0.059 Uiso 1 1 calc R U . . .
H40B H 0.227213 0.125315 0.355073 0.059 Uiso 1 1 calc R U . . .
H40C H 0.271515 0.191998 0.371259 0.059 Uiso 1 1 calc R U . . .
C35 C -0.2861(5) 0.2863(4) 0.3672(4) 0.0382(16) Uani 1 1 d . . . . .
H35 H -0.286101 0.335286 0.356564 0.046 Uiso 1 1 calc R U . . .
C77 C 0.6111(5) 0.2018(3) 0.0467(4) 0.0328(15) Uani 1 1 d . . . . .
H77 H 0.582966 0.202709 0.006786 0.039 Uiso 1 1 calc R U . . .
C50 C 0.4890(5) 0.0729(3) -0.0885(4) 0.0336(15) Uani 1 1 d . . . . .
C43 C 0.1725(5) 0.3826(4) 0.4595(4) 0.0393(17) Uani 1 1 d . . . . .
H43A H 0.182484 0.415507 0.417977 0.059 Uiso 1 1 calc R U . . .
H43B H 0.210504 0.390825 0.492733 0.059 Uiso 1 1 calc R U . . .
H43C H 0.111906 0.389257 0.482224 0.059 Uiso 1 1 calc R U . . .
F13 F 0.4140(8) -0.1344(7) 0.3868(7) 0.0651(16) Uani 0.5 1 d . . P A 1
C45 C 0.0927(6) 0.3102(4) 0.2628(4) 0.0388(17) Uani 1 1 d . . . . .
H45A H 0.101668 0.341529 0.219865 0.058 Uiso 1 1 calc R U . . .
H45B H 0.031938 0.316040 0.285116 0.058 Uiso 1 1 calc R U . . .
H45C H 0.107398 0.261825 0.250720 0.058 Uiso 1 1 calc R U . . .
C33 C -0.3538(5) 0.1777(4) 0.3652(4) 0.0371(16) Uani 1 1 d . . . . .
H33 H -0.399162 0.153737 0.354206 0.045 Uiso 1 1 calc R U . . .
C5 C -0.0739(5) 0.4511(4) 0.4030(5) 0.0420(19) Uani 1 1 d . . . . .
C10 C 0.3894(4) 0.1181(4) 0.5251(5) 0.0391(18) Uani 1 1 d . . . . .
F24 F 0.2175(5) 0.2233(4) 0.0926(4) 0.0620(11) Uani 0.75 1 d . U P B 1
C46 C 0.3058(6) 0.2116(4) 0.1086(4) 0.0483(18) Uani 1 1 d D U . . .
F11 F 0.3817(8) -0.0558(6) 0.3050(6) 0.0651(16) Uani 0.5 1 d . . P A 1
Cl1 Cl -0.0009(2) -0.09619(14) 1.02142(18) 0.0750(8) Uani 1 1 d . . . . .
C93 C -0.0874(7) -0.0778(6) 0.9711(6) 0.058(2) Uani 1 1 d . . . . .
H93A H -0.068919 -0.044979 0.930199 0.070 Uiso 1 1 calc R U . . .
H93B H -0.099564 -0.121522 0.952986 0.070 Uiso 1 1 calc R U . . .
C91 C 0.5037(8) -0.0860(7) -0.2222(7) 0.078(3) Uani 1 1 d . . . . .
H91A H 0.553231 -0.058698 -0.219946 0.094 Uiso 0.75 1 calc R U P C 1
H91B H 0.477152 -0.099725 -0.173318 0.094 Uiso 0.75 1 calc R U P C 1
H91C H 0.480963 -0.091112 -0.171168 0.094 Uiso 0.25 1 calc R U P D 2
H91D H 0.509461 -0.133014 -0.240038 0.094 Uiso 0.25 1 calc R U P D 2
Cl2 Cl -0.18435(18) -0.04077(15) 1.02173(13) 0.0629(6) Uani 1 1 d . . . . .
Cl4 Cl 0.42416(18) -0.03136(14) -0.26559(16) 0.0689(7) Uani 1 1 d D . . . .
Cl3 Cl 0.5421(2) -0.16163(19) -0.2662(2) 0.0637(8) Uani 0.75 1 d . . P E 1
Cl5 Cl -0.4295(4) 0.4053(4) 0.5176(3) 0.1234(14) Uani 0.75 1 d D . P F 2
Cl6 Cl -0.5980(9) 0.3500(10) 0.5156(10) 0.1234(14) Uani 0.25 1 d D . P F 1
C92 C -0.4796(9) 0.3302(7) 0.4994(7) 0.26(2) Uani 1 1 d D . . . .
H92C H -0.504012 0.341053 0.455357 0.312 Uiso 0.75 1 calc R U P F 2
H92D H -0.434582 0.290874 0.491736 0.312 Uiso 0.75 1 calc R U P F 2
H92A H -0.459822 0.320241 0.449637 0.312 Uiso 0.25 1 calc R U P F 1
H92B H -0.450524 0.370787 0.509087 0.312 Uiso 0.25 1 calc R U P F 1
F12 F 0.4369(8) -0.0921(7) 0.3424(7) 0.0651(16) Uani 0.5 1 d . . P A 2
F14 F 0.3735(8) -0.1513(7) 0.4153(7) 0.0651(16) Uani 0.5 1 d . . P A 2
F10 F 0.2876(14) -0.0976(10) 0.3542(8) 0.0651(16) Uani 0.5 1 d . . P A 2
Cl7 Cl -0.5615(5) 0.3044(4) 0.5665(3) 0.1234(14) Uani 0.75 1 d D . P F 2
Cl9 Cl 0.6015(5) -0.0577(6) -0.2324(6) 0.073(3) Uani 0.25 1 d D . P E 2
Cl8 Cl -0.4527(13) 0.2561(9) 0.5561(10) 0.138(8) Uani 0.25 1 d D . P F 1
F41 F 0.2589(11) 0.2733(6) 0.0963(10) 0.0620(11) Uani 0.25 1 d D . P B 2
F40 F 0.3567(10) 0.2269(10) 0.1553(8) 0.0620(11) Uani 0.25 1 d D . P B 2
F42 F 0.2491(11) 0.1679(8) 0.1454(10) 0.0620(11) Uani 0.25 1 d D . P B 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu8 N10 1.984(5) . ?
Cu8 C76 2.045(5) . ?
Cu8 C83 2.052(6) 2_665 ?
Cu8 C84 2.079(6) 2_665 ?
Cu8 Cu9 2.6992(12) . ?
Cu8 Cu6 2.7402(12) . ?
Cu8 Cu7 2.9103(11) . ?
Cu8 Cu9 2.9963(12) 2_665 ?
Cu3 C23 1.970(6) . ?
Cu3 N4 1.984(5) . ?
Cu3 N2 1.995(5) . ?
Cu3 Cu4 2.6751(12) . ?
Cu3 Cu2 2.9513(11) . ?
Cu5 N5 1.931(5) . ?
Cu5 C39 1.997(6) . ?
Cu5 C23 2.029(6) . ?
Cu5 C22 2.073(6) . ?
Cu5 Cu4 2.5024(11) . ?
Cu10 N12 1.939(5) . ?
Cu10 C84 1.984(6) . ?
Cu10 C68 2.012(5) . ?
Cu10 C67 2.030(5) . ?
Cu10 Cu9 2.4904(11) . ?
Cu9 C76 1.989(6) . ?
Cu9 C68 2.018(6) . ?
Cu9 C84 2.190(6) . ?
Cu9 Cu7 2.6848(12) . ?
Cu9 Cu6 2.7142(11) 2_665 ?
Cu9 Cu9 2.9429(16) 2_665 ?
Cu9 Cu6 2.9789(11) . ?
Cu1 N1 1.964(5) . ?
Cu1 C31 2.120(6) 2_556 ?
Cu1 C39 2.123(6) 2_556 ?
Cu1 C38 2.158(6) 2_556 ?
Cu1 C30 2.301(6) 2_556 ?
Cu1 Cu2 2.6707(12) . ?
Cu1 Cu4 2.7026(12) 2_556 ?
Cu4 C31 1.981(6) . ?
Cu4 C23 2.011(6) . ?
Cu4 C39 2.210(6) . ?
Cu4 Cu2 2.7318(12) . ?
Cu4 Cu2 2.9667(12) 2_556 ?
Cu7 C68 1.957(6) . ?
Cu7 N8 1.988(5) . ?
Cu7 N9 1.995(5) . ?
Cu7 Cu6 3.0357(12) . ?
Cu2 N3 1.973(5) . ?
Cu2 C31 2.066(6) . ?
Cu2 C38 2.072(6) 2_556 ?
Cu2 C39 2.077(5) 2_556 ?
Cu6 N7 1.970(5) . ?
Cu6 C76 2.119(5) 2_665 ?
Cu6 C84 2.168(6) 2_665 ?
Cu6 C75 2.185(6) 2_665 ?
Cu6 C83 2.240(6) 2_665 ?
F1 C1 1.337(8) . ?
F37 C60 1.340(8) . ?
F36 C56 1.348(7) . ?
F38 C60 1.351(8) . ?
F2 C1 1.339(8) . ?
F4 C5 1.331(9) . ?
F25 C50 1.345(7) . ?
F3 C1 1.339(8) . ?
F39 C60 1.334(8) . ?
F34 C56 1.315(8) . ?
F16 C15 1.318(8) . ?
F26 C50 1.348(9) . ?
F35 C56 1.326(8) . ?
F7 C10 1.318(8) . ?
F27 C50 1.332(8) . ?
F18 C15 1.326(8) . ?
N5 C2 1.356(8) . ?
N5 N6 1.367(7) . ?
F17 C15 1.348(9) . ?
N12 N11 1.355(7) . ?
N12 C47 1.356(8) . ?
N1 C12 1.337(8) . ?
N1 N2 1.360(7) . ?
N8 C57 1.347(8) . ?
N8 N7 1.351(7) . ?
N3 C7 1.329(8) . ?
N3 N4 1.366(7) . ?
N7 C59 1.345(8) . ?
N10 C54 1.342(8) . ?
N10 N9 1.362(7) . ?
N9 C52 1.340(8) . ?
F32 C55 1.345(8) . ?
N2 C14 1.345(8) . ?
F33 C55 1.317(8) . ?
F6 C5 1.337(11) . ?
N6 C4 1.342(8) . ?
F31 C55 1.309(8) . ?
N11 C49 1.347(7) . ?
N13 C86 1.501(8) . ?
N13 C88 1.509(8) . ?
N13 C89 1.510(7) . ?
N13 H13A 0.9800 . ?
N4 C9 1.348(8) . ?
F9 C10 1.340(11) . ?
N14 C44 1.506(8) . ?
N14 C41 1.507(8) . ?
N14 C42 1.514(8) . ?
N14 H14 0.9800 . ?
F8 C10 1.322(9) . ?
F15 C6 1.34(2) . ?
C31 C30 1.225(8) . ?
C68 C67 1.254(8) . ?
F20 C11 1.306(9) . ?
F21 C11 1.288(9) . ?
F29 C51 1.307(9) . ?
C83 C84 1.275(8) . ?
C83 C82 1.457(8) . ?
F5 C5 1.308(10) . ?
C38 C39 1.266(8) . ?
C38 C37 1.458(8) . ?
C75 C76 1.248(8) . ?
C75 C74 1.444(8) . ?
C74 C73 1.396(9) . ?
C74 C69 1.396(9) . ?
F19 C11 1.329(9) . ?
C66 C61 1.385(8) . ?
C66 C65 1.388(8) . ?
C66 H66 0.9300 . ?
C28 C29 1.396(8) . ?
C28 C27 1.399(9) . ?
C28 C30 1.437(8) . ?
C65 C64 1.413(8) . ?
C65 C67 1.446(8) . ?
C73 C72 1.392(9) . ?
C73 H73 0.9300 . ?
C21 C16 1.404(9) . ?
C21 C20 1.407(9) . ?
C21 C22 1.439(8) . ?
C29 C24 1.391(9) . ?
C29 H29 0.9300 . ?
C22 C23 1.249(8) . ?
F22 C46 1.319(11) . ?
C59 C58 1.386(9) . ?
C59 C60 1.469(9) . ?
C57 C58 1.378(9) . ?
C57 C56 1.488(9) . ?
C2 C3 1.374(9) . ?
C2 C1 1.484(9) . ?
C12 C13 1.392(8) . ?
C12 C11 1.483(9) . ?
C82 C81 1.396(9) . ?
C82 C77 1.407(9) . ?
C47 C48 1.371(9) . ?
C47 C46 1.487(9) . ?
C69 C70 1.386(9) . ?
C69 H69 0.9300 . ?
C55 C54 1.479(9) . ?
C49 C48 1.380(10) . ?
C49 C50 1.477(9) . ?
C54 C53 1.396(9) . ?
C7 C8 1.385(9) . ?
C7 C6 1.479(9) . ?
C90 C89 1.508(9) . ?
C90 H90A 0.9600 . ?
C90 H90B 0.9600 . ?
C90 H90C 0.9600 . ?
C64 C63 1.385(9) . ?
C64 H64 0.9300 . ?
C37 C32 1.381(9) . ?
C37 C36 1.417(8) . ?
C52 C53 1.387(9) . ?
C52 C51 1.485(8) . ?
C81 C80 1.387(10) . ?
C81 H81 0.9300 . ?
C86 C85 1.515(9) . ?
C86 H86A 0.9700 . ?
C86 H86B 0.9700 . ?
F30 C51 1.265(8) . ?
C9 C8 1.384(9) . ?
C9 C10 1.479(9) . ?
F23 C46 1.212(11) . ?
C14 C13 1.388(9) . ?
C14 C15 1.493(9) . ?
C89 H89A 0.9700 . ?
C89 H89B 0.9700 . ?
C16 C17 1.386(9) . ?
C16 H16 0.9300 . ?
C8 H8 0.9300 . ?
C19 C20 1.370(9) . ?
C19 C18 1.389(10) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C72 C71 1.380(10) . ?
C72 H72 0.9300 . ?
C58 H58 0.9300 . ?
C53 H53 0.9300 . ?
C70 C71 1.384(10) . ?
C70 H70 0.9300 . ?
C71 H71 0.9300 . ?
C27 C26 1.372(10) . ?
C27 H27 0.9300 . ?
C51 F28 1.307(9) . ?
C41 C40 1.504(10) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C18 C17 1.377(10) . ?
C18 H18 0.9300 . ?
C61 C62 1.380(10) . ?
C61 H61 0.9300 . ?
C42 C43 1.507(10) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C88 C87 1.511(9) . ?
C88 H88A 0.9700 . ?
C88 H88B 0.9700 . ?
C24 C25 1.381(10) . ?
C24 H24 0.9300 . ?
C87 H87A 0.9600 . ?
C87 H87B 0.9600 . ?
C87 H87C 0.9600 . ?
C36 C35 1.376(10) . ?
C36 H36 0.9300 . ?
C13 H13 0.9300 . ?
C17 H17 0.9300 . ?
C63 C62 1.402(10) . ?
C63 H63 0.9300 . ?
C85 H85A 0.9600 . ?
C85 H85B 0.9600 . ?
C85 H85C 0.9600 . ?
C3 C4 1.384(10) . ?
C3 H3 0.9300 . ?
C62 H62 0.9300 . ?
C32 C33 1.383(10) . ?
C32 H32 0.9300 . ?
C6 F10 1.26(2) . ?
C6 F12 1.293(13) . ?
C6 F13 1.299(16) . ?
C6 F11 1.374(15) . ?
C6 F14 1.486(16) . ?
C25 C26 1.396(10) . ?
C25 H25 0.9300 . ?
C34 C33 1.371(11) . ?
C34 C35 1.394(11) . ?
C34 H34 0.9300 . ?
C44 C45 1.514(10) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C4 C5 1.481(9) . ?
C78 C77 1.377(10) . ?
C78 C79 1.391(12) . ?
C78 H78 0.9300 . ?
C48 H48 0.9300 . ?
C80 C79 1.399(12) . ?
C80 H80 0.9300 . ?
C79 H79 0.9300 . ?
C26 H26 0.9300 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C35 H35 0.9300 . ?
C77 H77 0.9300 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C33 H33 0.9300 . ?
F24 C46 1.434(12) . ?
C46 F42 1.327(5) . ?
C46 F41 1.337(5) . ?
C46 F40 1.344(5) . ?
Cl1 C93 1.756(10) . ?
C93 Cl2 1.752(11) . ?
C93 H93A 0.9700 . ?
C93 H93B 0.9700 . ?
C91 Cl9 1.621(15) . ?
C91 Cl3 1.724(13) . ?
C91 Cl4 1.786(13) . ?
C91 H91A 0.9700 . ?
C91 H91B 0.9700 . ?
C91 H91C 0.9700 . ?
C91 H91D 0.9700 . ?
Cl5 C92 1.765(10) . ?
Cl6 C92 1.805(9) . ?
C92 Cl7 1.707(9) . ?
C92 Cl8 1.749(5) . ?
C92 H92C 0.9700 . ?
C92 H92D 0.9700 . ?
C92 H92A 0.9700 . ?
C92 H92B 0.9700 . ?

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
N10 Cu8 C76 105.0(2) . . ?
N10 Cu8 C83 113.8(2) . 2_665 ?
C76 Cu8 C83 141.2(2) . 2_665 ?
N10 Cu8 C84 148.6(2) . 2_665 ?
C76 Cu8 C84 105.6(2) . 2_665 ?
C83 Cu8 C84 35.9(2) 2_665 2_665 ?
N10 Cu8 Cu9 103.86(15) . . ?
C76 Cu8 Cu9 47.12(16) . . ?
C83 Cu8 Cu9 119.70(16) 2_665 . ?
C84 Cu8 Cu9 102.04(16) 2_665 . ?
N10 Cu8 Cu6 126.69(15) . . ?
C76 Cu8 Cu6 103.08(16) . . ?
C83 Cu8 Cu6 53.42(16) 2_665 . ?
C84 Cu8 Cu6 51.27(16) 2_665 . ?
Cu9 Cu8 Cu6 66.41(3) . . ?
N10 Cu8 Cu7 66.75(14) . . ?
C76 Cu8 Cu7 98.56(16) . . ?
C83 Cu8 Cu7 97.05(16) 2_665 . ?
C84 Cu8 Cu7 115.01(16) 2_665 . ?
Cu9 Cu8 Cu7 57.04(3) . . ?
Cu6 Cu8 Cu7 64.91(3) . . ?
N10 Cu8 Cu9 164.27(15) . 2_665 ?
C76 Cu8 Cu9 60.81(16) . 2_665 ?
C83 Cu8 Cu9 80.71(16) 2_665 2_665 ?
C84 Cu8 Cu9 46.97(16) 2_665 2_665 ?
Cu9 Cu8 Cu9 61.96(3) . 2_665 ?
Cu6 Cu8 Cu9 56.26(3) . 2_665 ?
Cu7 Cu8 Cu9 106.84(3) . 2_665 ?
C23 Cu3 N4 122.7(2) . . ?
C23 Cu3 N2 109.4(2) . . ?
N4 Cu3 N2 127.4(2) . . ?
C23 Cu3 Cu4 48.45(17) . . ?
N4 Cu3 Cu4 102.57(15) . . ?
N2 Cu3 Cu4 117.98(15) . . ?
C23 Cu3 Cu2 106.14(17) . . ?
N4 Cu3 Cu2 66.82(14) . . ?
N2 Cu3 Cu2 107.12(14) . . ?
Cu4 Cu3 Cu2 57.85(3) . . ?
N5 Cu5 C39 105.1(2) . . ?
N5 Cu5 C23 145.6(2) . . ?
C39 Cu5 C23 108.4(2) . . ?
N5 Cu5 C22 111.2(2) . . ?
C39 Cu5 C22 143.7(2) . . ?
C23 Cu5 C22 35.4(2) . . ?
N5 Cu5 Cu4 157.66(16) . . ?
C39 Cu5 Cu4 57.54(17) . . ?
C23 Cu5 Cu4 51.41(17) . . ?
C22 Cu5 Cu4 86.78(16) . . ?
N12 Cu10 C84 104.5(2) . . ?
N12 Cu10 C68 146.5(2) . . ?
C84 Cu10 C68 108.3(2) . . ?
N12 Cu10 C67 111.4(2) . . ?
C84 Cu10 C67 144.2(2) . . ?
C68 Cu10 C67 36.2(2) . . ?
N12 Cu10 Cu9 156.22(15) . . ?
C84 Cu10 Cu9 57.28(17) . . ?
C68 Cu10 Cu9 51.93(16) . . ?
C67 Cu10 Cu9 88.02(16) . . ?
C76 Cu9 C68 144.5(2) . . ?
C76 Cu9 C84 101.1(2) . . ?
C68 Cu9 C84 100.6(2) . . ?
C76 Cu9 Cu10 135.65(16) . . ?
C68 Cu9 Cu10 51.72(16) . . ?
C84 Cu9 Cu10 49.66(15) . . ?
C76 Cu9 Cu7 107.78(16) . . ?
C68 Cu9 Cu7 46.55(16) . . ?
C84 Cu9 Cu7 147.16(15) . . ?
Cu10 Cu9 Cu7 97.80(4) . . ?
C76 Cu9 Cu8 48.89(16) . . ?
C68 Cu9 Cu8 111.89(16) . . ?
C84 Cu9 Cu8 147.24(15) . . ?
Cu10 Cu9 Cu8 159.90(5) . . ?
Cu7 Cu9 Cu8 65.44(3) . . ?
C76 Cu9 Cu6 50.75(16) . 2_665 ?
C68 Cu9 Cu6 147.17(16) . 2_665 ?
C84 Cu9 Cu6 51.13(15) . 2_665 ?
Cu10 Cu9 Cu6 96.67(4) . 2_665 ?
Cu7 Cu9 Cu6 157.85(4) . 2_665 ?
Cu8 Cu9 Cu6 96.59(4) . 2_665 ?
C76 Cu9 Cu9 62.35(16) . 2_665 ?
C68 Cu9 Cu9 143.86(16) . 2_665 ?
C84 Cu9 Cu9 92.18(15) . 2_665 ?
Cu10 Cu9 Cu9 135.92(5) . 2_665 ?
Cu7 Cu9 Cu9 114.82(4) . 2_665 ?
Cu8 Cu9 Cu9 63.98(3) . 2_665 ?
Cu6 Cu9 Cu9 63.40(3) 2_665 2_665 ?
C76 Cu9 Cu6 96.78(16) . . ?
C68 Cu9 Cu6 91.84(15) . . ?
C84 Cu9 Cu6 127.54(15) . . ?
Cu10 Cu9 Cu6 127.14(4) . . ?
Cu7 Cu9 Cu6 64.58(3) . . ?
Cu8 Cu9 Cu6 57.46(3) . . ?
Cu6 Cu9 Cu6 117.95(3) 2_665 . ?
Cu9 Cu9 Cu6 54.56(3) 2_665 . ?
C76 Cu9 Cu8 97.85(16) . 2_665 ?
C68 Cu9 Cu8 117.21(17) . 2_665 ?
C84 Cu9 Cu8 43.92(15) . 2_665 ?
Cu10 Cu9 Cu8 81.92(3) . 2_665 ?
Cu7 Cu9 Cu8 141.87(4) . 2_665 ?
Cu8 Cu9 Cu8 118.04(3) . 2_665 ?
Cu6 Cu9 Cu8 57.10(3) 2_665 2_665 ?
Cu9 Cu9 Cu8 54.05(3) 2_665 2_665 ?
Cu6 Cu9 Cu8 85.13(3) . 2_665 ?
N1 Cu1 C31 126.2(2) . 2_556 ?
N1 Cu1 C39 134.6(2) . 2_556 ?
C31 Cu1 C39 99.2(2) 2_556 2_556 ?
N1 Cu1 C38 100.6(2) . 2_556 ?
C31 Cu1 C38 132.8(2) 2_556 2_556 ?
C39 Cu1 C38 34.4(2) 2_556 2_556 ?
N1 Cu1 C30 95.3(2) . 2_556 ?
C31 Cu1 C30 31.8(2) 2_556 2_556 ?
C39 Cu1 C30 129.6(2) 2_556 2_556 ?
C38 Cu1 C30 164.0(2) 2_556 2_556 ?
N1 Cu1 Cu2 113.91(15) . . ?
C31 Cu1 Cu2 99.86(17) 2_556 . ?
C39 Cu1 Cu2 49.75(15) 2_556 . ?
C38 Cu1 Cu2 49.43(16) 2_556 . ?
C30 Cu1 Cu2 124.92(15) 2_556 . ?
N1 Cu1 Cu4 171.58(15) . 2_556 ?
C31 Cu1 Cu4 46.60(16) 2_556 2_556 ?
C39 Cu1 Cu4 52.88(16) 2_556 2_556 ?
C38 Cu1 Cu4 86.28(16) 2_556 2_556 ?
C30 Cu1 Cu4 78.09(15) 2_556 2_556 ?
Cu2 Cu1 Cu4 67.02(3) . 2_556 ?
C31 Cu4 C23 146.0(2) . . ?
C31 Cu4 C39 100.7(2) . . ?
C23 Cu4 C39 101.2(2) . . ?
C31 Cu4 Cu5 138.07(17) . . ?
C23 Cu4 Cu5 52.05(17) . . ?
C39 Cu4 Cu5 49.68(14) . . ?
C31 Cu4 Cu3 109.20(17) . . ?
C23 Cu4 Cu3 47.14(17) . . ?
C39 Cu4 Cu3 148.16(15) . . ?
Cu5 Cu4 Cu3 99.14(4) . . ?
C31 Cu4 Cu1 51.02(17) . 2_556 ?
C23 Cu4 Cu1 146.02(18) . 2_556 ?
C39 Cu4 Cu1 49.99(15) . 2_556 ?
Cu5 Cu4 Cu1 95.69(4) . 2_556 ?
Cu3 Cu4 Cu1 159.66(4) . 2_556 ?
C31 Cu4 Cu2 48.89(17) . . ?
C23 Cu4 Cu2 113.12(17) . . ?
C39 Cu4 Cu2 145.62(15) . . ?
Cu5 Cu4 Cu2 163.61(4) . . ?
Cu3 Cu4 Cu2 66.15(3) . . ?
Cu1 Cu4 Cu2 97.02(4) 2_556 . ?
C31 Cu4 Cu2 94.09(17) . 2_556 ?
C23 Cu4 Cu2 119.67(17) . 2_556 ?
C39 Cu4 Cu2 44.38(14) . 2_556 ?
Cu5 Cu4 Cu2 82.64(3) . 2_556 ?
Cu3 Cu4 Cu2 139.81(4) . 2_556 ?
Cu1 Cu4 Cu2 55.98(3) 2_556 2_556 ?
Cu2 Cu4 Cu2 113.14(3) . 2_556 ?
C68 Cu7 N8 119.8(2) . . ?
C68 Cu7 N9 122.1(2) . . ?
N8 Cu7 N9 117.6(2) . . ?
C68 Cu7 Cu9 48.47(16) . . ?
N8 Cu7 Cu9 124.73(15) . . ?
N9 Cu7 Cu9 101.65(14) . . ?
C68 Cu7 Cu8 105.90(17) . . ?
N8 Cu7 Cu8 102.67(14) . . ?
N9 Cu7 Cu8 67.22(14) . . ?
Cu9 Cu7 Cu8 57.52(3) . . ?
C68 Cu7 Cu6 91.39(17) . . ?
N8 Cu7 Cu6 64.80(14) . . ?
N9 Cu7 Cu6 119.34(14) . . ?
Cu9 Cu7 Cu6 62.41(3) . . ?
Cu8 Cu7 Cu6 54.83(3) . . ?
N3 Cu2 C31 107.2(2) . . ?
N3 Cu2 C38 108.7(2) . 2_556 ?
C31 Cu2 C38 144.1(2) . 2_556 ?
N3 Cu2 C39 142.6(2) . 2_556 ?
C31 Cu2 C39 109.1(2) . 2_556 ?
C38 Cu2 C39 35.5(2) 2_556 2_556 ?
N3 Cu2 Cu1 125.23(16) . . ?
C31 Cu2 Cu1 105.82(17) . . ?
C38 Cu2 Cu1 52.30(16) 2_556 . ?
C39 Cu2 Cu1 51.29(16) 2_556 . ?
N3 Cu2 Cu4 103.07(15) . . ?
C31 Cu2 Cu4 46.24(16) . . ?
C38 Cu2 Cu4 124.07(16) 2_556 . ?
C39 Cu2 Cu4 108.49(16) 2_556 . ?
Cu1 Cu2 Cu4 71.77(3) . . ?
N3 Cu2 Cu3 65.75(15) . . ?
C31 Cu2 Cu3 97.47(16) . . ?
C38 Cu2 Cu3 98.05(16) 2_556 . ?
C39 Cu2 Cu3 117.59(16) 2_556 . ?
Cu1 Cu2 Cu3 67.64(3) . . ?
Cu4 Cu2 Cu3 56.00(3) . . ?
N3 Cu2 Cu4 169.14(15) . 2_556 ?
C31 Cu2 Cu4 63.19(16) . 2_556 ?
C38 Cu2 Cu4 81.16(16) 2_556 2_556 ?
C39 Cu2 Cu4 48.11(17) 2_556 2_556 ?
Cu1 Cu2 Cu4 57.00(3) . 2_556 ?
Cu4 Cu2 Cu4 66.86(3) . 2_556 ?
Cu3 Cu2 Cu4 109.19(3) . 2_556 ?
N7 Cu6 C76 135.7(2) . 2_665 ?
N7 Cu6 C84 126.5(2) . 2_665 ?
C76 Cu6 C84 97.7(2) 2_665 2_665 ?
N7 Cu6 C75 102.9(2) . 2_665 ?
C76 Cu6 C75 33.7(2) 2_665 2_665 ?
C84 Cu6 C75 129.0(2) 2_665 2_665 ?
N7 Cu6 C83 93.3(2) . 2_665 ?
C76 Cu6 C83 130.9(2) 2_665 2_665 ?
C84 Cu6 C83 33.6(2) 2_665 2_665 ?
C75 Cu6 C83 162.0(2) 2_665 2_665 ?
N7 Cu6 Cu9 175.19(16) . 2_665 ?
C76 Cu6 Cu9 46.61(15) 2_665 2_665 ?
C84 Cu6 Cu9 51.85(16) 2_665 2_665 ?
C75 Cu6 Cu9 79.91(16) 2_665 2_665 ?
C83 Cu6 Cu9 84.42(15) 2_665 2_665 ?
N7 Cu6 Cu8 108.75(15) . . ?
C76 Cu6 Cu8 102.73(16) 2_665 . ?
C84 Cu6 Cu8 48.40(15) 2_665 . ?
C75 Cu6 Cu8 130.89(16) 2_665 . ?
C83 Cu6 Cu8 47.36(15) 2_665 . ?
Cu9 Cu6 Cu8 66.64(3) 2_665 . ?
N7 Cu6 Cu9 114.57(15) . . ?
C76 Cu6 Cu9 60.69(15) 2_665 . ?
C84 Cu6 Cu9 91.65(15) 2_665 . ?
C75 Cu6 Cu9 76.94(16) 2_665 . ?
C83 Cu6 Cu9 103.40(15) 2_665 . ?
Cu9 Cu6 Cu9 62.05(3) 2_665 . ?
Cu8 Cu6 Cu9 56.14(3) . . ?
N7 Cu6 Cu7 64.61(15) . . ?
C76 Cu6 Cu7 108.38(15) 2_665 . ?
C84 Cu6 Cu7 107.63(16) 2_665 . ?
C75 Cu6 Cu7 104.17(16) 2_665 . ?
C83 Cu6 Cu7 89.64(15) 2_665 . ?
Cu9 Cu6 Cu7 111.05(4) 2_665 . ?
Cu8 Cu6 Cu7 60.25(3) . . ?
Cu9 Cu6 Cu7 53.01(3) . . ?
C2 N5 N6 107.4(5) . . ?
C2 N5 Cu5 132.5(4) . . ?
N6 N5 Cu5 119.9(4) . . ?
N11 N12 C47 107.9(5) . . ?
N11 N12 Cu10 118.9(4) . . ?
C47 N12 Cu10 133.2(4) . . ?
C12 N1 N2 108.5(5) . . ?
C12 N1 Cu1 134.8(4) . . ?
N2 N1 Cu1 115.0(4) . . ?
C57 N8 N7 107.4(5) . . ?
C57 N8 Cu7 138.4(4) . . ?
N7 N8 Cu7 114.1(3) . . ?
C7 N3 N4 108.1(5) . . ?
C7 N3 Cu2 136.7(4) . . ?
N4 N3 Cu2 115.0(4) . . ?
C59 N7 N8 108.3(5) . . ?
C59 N7 Cu6 134.0(4) . . ?
N8 N7 Cu6 115.9(4) . . ?
C54 N10 N9 107.3(5) . . ?
C54 N10 Cu8 138.2(4) . . ?
N9 N10 Cu8 113.6(4) . . ?
C52 N9 N10 108.1(5) . . ?
C52 N9 Cu7 140.1(4) . . ?
N10 N9 Cu7 111.8(4) . . ?
C14 N2 N1 106.5(5) . . ?
C14 N2 Cu3 135.7(4) . . ?
N1 N2 Cu3 117.8(4) . . ?
C4 N6 N5 107.0(5) . . ?
C49 N11 N12 106.6(5) . . ?
C86 N13 C88 112.2(5) . . ?
C86 N13 C89 113.3(5) . . ?
C88 N13 C89 110.4(5) . . ?
C86 N13 H13A 106.8 . . ?
C88 N13 H13A 106.8 . . ?
C89 N13 H13A 106.8 . . ?
C9 N4 N3 106.7(5) . . ?
C9 N4 Cu3 141.3(4) . . ?
N3 N4 Cu3 111.9(4) . . ?
C44 N14 C41 113.0(5) . . ?
C44 N14 C42 111.8(5) . . ?
C41 N14 C42 111.3(5) . . ?
C44 N14 H14 106.8 . . ?
C41 N14 H14 106.8 . . ?
C42 N14 H14 106.8 . . ?
C30 C31 Cu4 161.7(5) . . ?
C30 C31 Cu2 113.1(4) . . ?
Cu4 C31 Cu2 84.9(2) . . ?
C30 C31 Cu1 82.3(4) . 2_556 ?
Cu4 C31 Cu1 82.4(2) . 2_556 ?
Cu2 C31 Cu1 153.0(3) . 2_556 ?
C67 C68 Cu7 124.6(5) . . ?
C67 C68 Cu10 72.7(4) . . ?
Cu7 C68 Cu10 159.0(3) . . ?
C67 C68 Cu9 148.8(5) . . ?
Cu7 C68 Cu9 85.0(2) . . ?
Cu10 C68 Cu9 76.4(2) . . ?
C84 C83 C82 152.0(6) . . ?
C84 C83 Cu8 73.2(4) . 2_665 ?
C82 C83 Cu8 132.4(4) . 2_665 ?
C84 C83 Cu6 70.1(4) . 2_665 ?
C82 C83 Cu6 120.1(4) . 2_665 ?
Cu8 C83 Cu6 79.21(19) 2_665 2_665 ?
C39 C38 C37 155.1(6) . . ?
C39 C38 Cu2 72.5(4) . 2_556 ?
C37 C38 Cu2 127.3(4) . 2_556 ?
C39 C38 Cu1 71.3(4) . 2_556 ?
C37 C38 Cu1 123.4(4) . 2_556 ?
Cu2 C38 Cu1 78.27(19) 2_556 2_556 ?
C76 C75 C74 170.6(6) . . ?
C76 C75 Cu6 70.3(4) . 2_665 ?
C74 C75 Cu6 119.1(4) . 2_665 ?
C75 C76 Cu9 156.5(5) . . ?
C75 C76 Cu8 119.5(4) . . ?
Cu9 C76 Cu8 84.0(2) . . ?
C75 C76 Cu6 76.1(4) . 2_665 ?
Cu9 C76 Cu6 82.6(2) . 2_665 ?
Cu8 C76 Cu6 152.1(3) . 2_665 ?
C83 C84 Cu10 138.0(5) . . ?
C83 C84 Cu8 70.9(4) . 2_665 ?
Cu10 C84 Cu8 125.8(3) . 2_665 ?
C83 C84 Cu6 76.3(4) . 2_665 ?
Cu10 C84 Cu6 139.0(3) . 2_665 ?
Cu8 C84 Cu6 80.3(2) 2_665 2_665 ?
C83 C84 Cu9 148.9(4) . . ?
Cu10 C84 Cu9 73.1(2) . . ?
Cu8 C84 Cu9 89.1(2) 2_665 . ?
Cu6 C84 Cu9 77.02(19) 2_665 . ?
C73 C74 C69 119.5(5) . . ?
C73 C74 C75 120.2(5) . . ?
C69 C74 C75 120.3(5) . . ?
C61 C66 C65 121.1(6) . . ?
C61 C66 H66 119.4 . . ?
C65 C66 H66 119.4 . . ?
C29 C28 C27 118.6(6) . . ?
C29 C28 C30 121.3(6) . . ?
C27 C28 C30 120.1(6) . . ?
C66 C65 C64 118.8(5) . . ?
C66 C65 C67 122.0(5) . . ?
C64 C65 C67 119.1(5) . . ?
C68 C67 C65 160.3(6) . . ?
C68 C67 Cu10 71.1(4) . . ?
C65 C67 Cu10 128.4(4) . . ?
C72 C73 C74 119.8(6) . . ?
C72 C73 H73 120.1 . . ?
C74 C73 H73 120.1 . . ?
C16 C21 C20 118.0(5) . . ?
C16 C21 C22 121.1(5) . . ?
C20 C21 C22 120.8(5) . . ?
C31 C30 C28 171.1(6) . . ?
C31 C30 Cu1 65.9(4) . 2_556 ?
C28 C30 Cu1 123.0(4) . 2_556 ?
C24 C29 C28 121.0(6) . . ?
C24 C29 H29 119.5 . . ?
C28 C29 H29 119.5 . . ?
C23 C22 C21 163.0(6) . . ?
C23 C22 Cu5 70.4(4) . . ?
C21 C22 Cu5 126.6(4) . . ?
C38 C39 Cu5 139.8(5) . . ?
C38 C39 Cu2 72.0(4) . 2_556 ?
Cu5 C39 Cu2 125.8(3) . 2_556 ?
C38 C39 Cu1 74.3(4) . 2_556 ?
Cu5 C39 Cu1 139.1(3) . 2_556 ?
Cu2 C39 Cu1 78.96(18) 2_556 2_556 ?
C38 C39 Cu4 147.4(4) . . ?
Cu5 C39 Cu4 72.78(19) . . ?
Cu2 C39 Cu4 87.5(2) 2_556 . ?
Cu1 C39 Cu4 77.13(19) 2_556 . ?
N7 C59 C58 109.8(5) . . ?
N7 C59 C60 120.7(5) . . ?
C58 C59 C60 129.4(6) . . ?
N8 C57 C58 110.6(5) . . ?
N8 C57 C56 120.9(6) . . ?
C58 C57 C56 128.5(6) . . ?
C22 C23 Cu3 124.5(5) . . ?
C22 C23 Cu4 150.5(5) . . ?
Cu3 C23 Cu4 84.4(2) . . ?
C22 C23 Cu5 74.2(4) . . ?
Cu3 C23 Cu5 160.7(3) . . ?
Cu4 C23 Cu5 76.5(2) . . ?
N5 C2 C3 110.8(6) . . ?
N5 C2 C1 121.2(6) . . ?
C3 C2 C1 128.0(6) . . ?
N1 C12 C13 110.8(5) . . ?
N1 C12 C11 120.2(5) . . ?
C13 C12 C11 128.9(6) . . ?
C81 C82 C77 120.4(6) . . ?
C81 C82 C83 122.3(6) . . ?
C77 C82 C83 117.3(6) . . ?
N12 C47 C48 110.6(6) . . ?
N12 C47 C46 119.9(6) . . ?
C48 C47 C46 129.5(6) . . ?
C70 C69 C74 120.0(6) . . ?
C70 C69 H69 120.0 . . ?
C74 C69 H69 120.0 . . ?
F31 C55 F33 109.1(6) . . ?
F31 C55 F32 104.0(6) . . ?
F33 C55 F32 104.1(6) . . ?
F31 C55 C54 113.9(6) . . ?
F33 C55 C54 113.4(5) . . ?
F32 C55 C54 111.6(6) . . ?
N11 C49 C48 111.6(5) . . ?
N11 C49 C50 119.5(6) . . ?
C48 C49 C50 128.9(6) . . ?
N10 C54 C53 110.8(5) . . ?
N10 C54 C55 121.3(5) . . ?
C53 C54 C55 127.8(6) . . ?
N3 C7 C8 111.1(6) . . ?
N3 C7 C6 120.2(6) . . ?
C8 C7 C6 128.7(6) . . ?
C89 C90 H90A 109.5 . . ?
C89 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C89 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C63 C64 C65 120.2(6) . . ?
C63 C64 H64 119.9 . . ?
C65 C64 H64 119.9 . . ?
C32 C37 C36 119.2(6) . . ?
C32 C37 C38 123.5(5) . . ?
C36 C37 C38 117.3(5) . . ?
N9 C52 C53 110.7(5) . . ?
N9 C52 C51 121.2(6) . . ?
C53 C52 C51 127.9(6) . . ?
C80 C81 C82 119.3(6) . . ?
C80 C81 H81 120.4 . . ?
C82 C81 H81 120.4 . . ?
N13 C86 C85 112.3(5) . . ?
N13 C86 H86A 109.1 . . ?
C85 C86 H86A 109.1 . . ?
N13 C86 H86B 109.1 . . ?
C85 C86 H86B 109.1 . . ?
H86A C86 H86B 107.9 . . ?
N4 C9 C8 111.1(5) . . ?
N4 C9 C10 121.1(6) . . ?
C8 C9 C10 127.7(6) . . ?
F34 C56 F35 107.2(6) . . ?
F34 C56 F36 107.2(6) . . ?
F35 C56 F36 105.6(5) . . ?
F34 C56 C57 113.3(5) . . ?
F35 C56 C57 111.2(6) . . ?
F36 C56 C57 112.1(5) . . ?
F39 C60 F37 107.4(6) . . ?
F39 C60 F38 105.1(5) . . ?
F37 C60 F38 105.6(6) . . ?
F39 C60 C59 112.2(6) . . ?
F37 C60 C59 112.8(5) . . ?
F38 C60 C59 113.1(6) . . ?
N2 C14 C13 111.9(5) . . ?
N2 C14 C15 120.2(6) . . ?
C13 C14 C15 127.8(6) . . ?
C90 C89 N13 114.8(5) . . ?
C90 C89 H89A 108.6 . . ?
N13 C89 H89A 108.6 . . ?
C90 C89 H89B 108.6 . . ?
N13 C89 H89B 108.6 . . ?
H89A C89 H89B 107.6 . . ?
C17 C16 C21 120.7(6) . . ?
C17 C16 H16 119.7 . . ?
C21 C16 H16 119.7 . . ?
C9 C8 C7 103.0(6) . . ?
C9 C8 H8 128.5 . . ?
C7 C8 H8 128.5 . . ?
F1 C1 F2 107.0(6) . . ?
F1 C1 F3 105.9(6) . . ?
F2 C1 F3 105.7(6) . . ?
F1 C1 C2 113.2(6) . . ?
F2 C1 C2 112.2(6) . . ?
F3 C1 C2 112.3(6) . . ?
C20 C19 C18 121.0(6) . . ?
C20 C19 H19 119.5 . . ?
C18 C19 H19 119.5 . . ?
C19 C20 C21 120.4(6) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C71 C72 C73 120.3(6) . . ?
C71 C72 H72 119.8 . . ?
C73 C72 H72 119.8 . . ?
C57 C58 C59 103.9(5) . . ?
C57 C58 H58 128.1 . . ?
C59 C58 H58 128.1 . . ?
C52 C53 C54 103.0(5) . . ?
C52 C53 H53 128.5 . . ?
C54 C53 H53 128.5 . . ?
C71 C70 C69 120.3(6) . . ?
C71 C70 H70 119.9 . . ?
C69 C70 H70 119.9 . . ?
C72 C71 C70 120.1(6) . . ?
C72 C71 H71 120.0 . . ?
C70 C71 H71 120.0 . . ?
C26 C27 C28 120.5(6) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
F30 C51 F29 106.9(7) . . ?
F30 C51 F28 106.6(8) . . ?
F29 C51 F28 103.2(7) . . ?
F30 C51 C52 115.0(6) . . ?
F29 C51 C52 111.5(6) . . ?
F28 C51 C52 112.8(6) . . ?
C40 C41 N14 114.0(5) . . ?
C40 C41 H41A 108.7 . . ?
N14 C41 H41A 108.7 . . ?
C40 C41 H41B 108.7 . . ?
N14 C41 H41B 108.7 . . ?
H41A C41 H41B 107.6 . . ?
C17 C18 C19 119.5(6) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
C62 C61 C66 119.8(6) . . ?
C62 C61 H61 120.1 . . ?
C66 C61 H61 120.1 . . ?
C43 C42 N14 113.6(6) . . ?
C43 C42 H42A 108.8 . . ?
N14 C42 H42A 108.8 . . ?
C43 C42 H42B 108.8 . . ?
N14 C42 H42B 108.8 . . ?
H42A C42 H42B 107.7 . . ?
N13 C88 C87 113.7(5) . . ?
N13 C88 H88A 108.8 . . ?
C87 C88 H88A 108.8 . . ?
N13 C88 H88B 108.8 . . ?
C87 C88 H88B 108.8 . . ?
H88A C88 H88B 107.7 . . ?
C25 C24 C29 119.4(6) . . ?
C25 C24 H24 120.3 . . ?
C29 C24 H24 120.3 . . ?
F21 C11 F20 108.6(7) . . ?
F21 C11 F19 104.0(7) . . ?
F20 C11 F19 103.8(7) . . ?
F21 C11 C12 114.6(6) . . ?
F20 C11 C12 112.6(6) . . ?
F19 C11 C12 112.4(6) . . ?
F16 C15 F18 108.9(6) . . ?
F16 C15 F17 105.4(6) . . ?
F18 C15 F17 105.8(6) . . ?
F16 C15 C14 112.3(6) . . ?
F18 C15 C14 112.2(6) . . ?
F17 C15 C14 111.9(6) . . ?
C88 C87 H87A 109.5 . . ?
C88 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C88 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C35 C36 C37 119.3(6) . . ?
C35 C36 H36 120.4 . . ?
C37 C36 H36 120.4 . . ?
C14 C13 C12 102.3(5) . . ?
C14 C13 H13 128.8 . . ?
C12 C13 H13 128.8 . . ?
C18 C17 C16 120.3(6) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C64 C63 C62 119.6(6) . . ?
C64 C63 H63 120.2 . . ?
C62 C63 H63 120.2 . . ?
C86 C85 H85A 109.5 . . ?
C86 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C86 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C2 C3 C4 103.4(6) . . ?
C2 C3 H3 128.3 . . ?
C4 C3 H3 128.3 . . ?
C61 C62 C63 120.4(6) . . ?
C61 C62 H62 119.8 . . ?
C63 C62 H62 119.8 . . ?
C37 C32 C33 120.9(6) . . ?
C37 C32 H32 119.6 . . ?
C33 C32 H32 119.6 . . ?
F10 C6 F12 127.1(11) . . ?
F13 C6 F15 104.7(11) . . ?
F13 C6 F11 106.1(9) . . ?
F15 C6 F11 104.5(10) . . ?
F10 C6 C7 116.8(10) . . ?
F12 C6 C7 112.8(7) . . ?
F13 C6 C7 114.9(8) . . ?
F15 C6 C7 113.3(9) . . ?
F11 C6 C7 112.4(8) . . ?
F10 C6 F14 95.9(11) . . ?
F12 C6 F14 85.7(9) . . ?
C7 C6 F14 107.6(7) . . ?
C24 C25 C26 120.0(6) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C33 C34 C35 120.3(6) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
N14 C44 C45 113.0(6) . . ?
N14 C44 H44A 109.0 . . ?
C45 C44 H44A 109.0 . . ?
N14 C44 H44B 109.0 . . ?
C45 C44 H44B 109.0 . . ?
H44A C44 H44B 107.8 . . ?
N6 C4 C3 111.4(6) . . ?
N6 C4 C5 119.5(6) . . ?
C3 C4 C5 129.1(6) . . ?
C77 C78 C79 120.4(7) . . ?
C77 C78 H78 119.8 . . ?
C79 C78 H78 119.8 . . ?
C47 C48 C49 103.3(5) . . ?
C47 C48 H48 128.3 . . ?
C49 C48 H48 128.3 . . ?
C81 C80 C79 120.3(7) . . ?
C81 C80 H80 119.8 . . ?
C79 C80 H80 119.8 . . ?
C78 C79 C80 120.0(7) . . ?
C78 C79 H79 120.0 . . ?
C80 C79 H79 120.0 . . ?
C27 C26 C25 120.4(7) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C41 C40 H40A 109.5 . . ?
C41 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C41 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C36 C35 C34 120.4(7) . . ?
C36 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
C78 C77 C82 119.6(7) . . ?
C78 C77 H77 120.2 . . ?
C82 C77 H77 120.2 . . ?
F27 C50 F25 107.4(6) . . ?
F27 C50 F26 105.7(6) . . ?
F25 C50 F26 105.3(5) . . ?
F27 C50 C49 113.7(6) . . ?
F25 C50 C49 111.6(6) . . ?
F26 C50 C49 112.6(6) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C34 C33 C32 119.9(7) . . ?
C34 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
F5 C5 F4 107.5(7) . . ?
F5 C5 F6 105.9(8) . . ?
F4 C5 F6 104.6(7) . . ?
F5 C5 C4 113.6(7) . . ?
F4 C5 C4 111.3(6) . . ?
F6 C5 C4 113.3(7) . . ?
F7 C10 F8 108.1(7) . . ?
F7 C10 F9 105.0(6) . . ?
F8 C10 F9 106.2(7) . . ?
F7 C10 C9 112.1(6) . . ?
F8 C10 C9 112.2(6) . . ?
F9 C10 C9 112.9(7) . . ?
F23 C46 F22 114.7(8) . . ?
F42 C46 F41 106.3(7) . . ?
F42 C46 F40 105.6(7) . . ?
F41 C46 F40 103.4(7) . . ?
F23 C46 F24 105.1(7) . . ?
F22 C46 F24 98.3(7) . . ?
F23 C46 C47 118.9(7) . . ?
F22 C46 C47 110.5(6) . . ?
F42 C46 C47 117.7(10) . . ?
F41 C46 C47 113.1(9) . . ?
F40 C46 C47 109.6(10) . . ?
F24 C46 C47 106.7(7) . . ?
Cl2 C93 Cl1 112.5(6) . . ?
Cl2 C93 H93A 109.1 . . ?
Cl1 C93 H93A 109.1 . . ?
Cl2 C93 H93B 109.1 . . ?
Cl1 C93 H93B 109.1 . . ?
H93A C93 H93B 107.8 . . ?
Cl9 C91 Cl4 116.0(9) . . ?
Cl3 C91 Cl4 112.3(7) . . ?
Cl3 C91 H91A 109.1 . . ?
Cl4 C91 H91A 109.1 . . ?
Cl3 C91 H91B 109.1 . . ?
Cl4 C91 H91B 109.1 . . ?
H91A C91 H91B 107.9 . . ?
Cl9 C91 H91C 108.3 . . ?
Cl4 C91 H91C 108.3 . . ?
Cl9 C91 H91D 108.3 . . ?
Cl4 C91 H91D 108.3 . . ?
H91C C91 H91D 107.4 . . ?
Cl7 C92 Cl5 113.5(8) . . ?
Cl8 C92 Cl6 108.5(6) . . ?
Cl7 C92 H92C 108.9 . . ?
Cl5 C92 H92C 108.9 . . ?
Cl7 C92 H92D 108.9 . . ?
Cl5 C92 H92D 108.9 . . ?
H92C C92 H92D 107.7 . . ?
Cl8 C92 H92A 110.0 . . ?
Cl6 C92 H92A 110.0 . . ?
Cl8 C92 H92B 110.0 . . ?
Cl6 C92 H92B 110.0 . . ?
H92A C92 H92B 108.4 . . ?

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
C57 N8 N7 C59 -0.4(6) . . . . ?
Cu7 N8 N7 C59 176.0(4) . . . . ?
C57 N8 N7 Cu6 -167.4(4) . . . . ?
Cu7 N8 N7 Cu6 9.0(5) . . . . ?
C54 N10 N9 C52 -0.1(6) . . . . ?
Cu8 N10 N9 C52 -171.2(4) . . . . ?
C54 N10 N9 Cu7 -179.7(4) . . . . ?
Cu8 N10 N9 Cu7 9.2(5) . . . . ?
C12 N1 N2 C14 -1.0(7) . . . . ?
Cu1 N1 N2 C14 166.3(4) . . . . ?
C12 N1 N2 Cu3 -178.3(4) . . . . ?
Cu1 N1 N2 Cu3 -11.1(5) . . . . ?
C2 N5 N6 C4 -0.3(7) . . . . ?
Cu5 N5 N6 C4 175.1(4) . . . . ?
C47 N12 N11 C49 -0.4(7) . . . . ?
Cu10 N12 N11 C49 177.1(4) . . . . ?
C7 N3 N4 C9 0.7(7) . . . . ?
Cu2 N3 N4 C9 -175.0(4) . . . . ?
C7 N3 N4 Cu3 -176.0(4) . . . . ?
Cu2 N3 N4 Cu3 8.2(5) . . . . ?
Cu6 C75 C76 Cu9 -25.6(11) 2_665 . . . ?
Cu6 C75 C76 Cu8 155.0(4) 2_665 . . . ?
C82 C83 C84 Cu10 35.9(17) . . . . ?
Cu8 C83 C84 Cu10 -122.7(6) 2_665 . . . ?
Cu6 C83 C84 Cu10 153.0(7) 2_665 . . . ?
C82 C83 C84 Cu8 158.6(13) . . . 2_665 ?
Cu6 C83 C84 Cu8 -84.34(15) 2_665 . . 2_665 ?
C82 C83 C84 Cu6 -117.1(12) . . . 2_665 ?
Cu8 C83 C84 Cu6 84.34(15) 2_665 . . 2_665 ?
C82 C83 C84 Cu9 -148.7(9) . . . . ?
Cu8 C83 C84 Cu9 52.7(8) 2_665 . . . ?
Cu6 C83 C84 Cu9 -31.6(8) 2_665 . . . ?
Cu6 C75 C74 C73 113.5(6) 2_665 . . . ?
Cu6 C75 C74 C69 -65.7(7) 2_665 . . . ?
C61 C66 C65 C64 0.8(10) . . . . ?
C61 C66 C65 C67 179.9(6) . . . . ?
Cu7 C68 C67 C65 -20(2) . . . . ?
Cu10 C68 C67 C65 173.7(18) . . . . ?
Cu9 C68 C67 C65 -178.2(12) . . . . ?
Cu7 C68 C67 Cu10 166.7(5) . . . . ?
Cu9 C68 C67 Cu10 8.1(8) . . . . ?
C66 C65 C67 C68 158.3(16) . . . . ?
C64 C65 C67 C68 -23(2) . . . . ?
C66 C65 C67 Cu10 -29.3(9) . . . . ?
C64 C65 C67 Cu10 149.8(5) . . . . ?
C69 C74 C73 C72 0.5(9) . . . . ?
C75 C74 C73 C72 -178.8(6) . . . . ?
Cu4 C31 C30 Cu1 -33.3(15) . . . 2_556 ?
Cu2 C31 C30 Cu1 157.0(4) . . . 2_556 ?
C29 C28 C30 Cu1 -72.1(7) . . . 2_556 ?
C27 C28 C30 Cu1 109.8(6) . . . 2_556 ?
C27 C28 C29 C24 0.1(10) . . . . ?
C30 C28 C29 C24 -178.0(6) . . . . ?
C16 C21 C22 C23 59(2) . . . . ?
C20 C21 C22 C23 -120(2) . . . . ?
C16 C21 C22 Cu5 -125.1(6) . . . . ?
C20 C21 C22 Cu5 55.6(8) . . . . ?
C37 C38 C39 Cu5 21.4(19) . . . . ?
Cu2 C38 C39 Cu5 -124.7(7) 2_556 . . . ?
Cu1 C38 C39 Cu5 152.0(7) 2_556 . . . ?
C37 C38 C39 Cu2 146.1(14) . . . 2_556 ?
Cu1 C38 C39 Cu2 -83.22(15) 2_556 . . 2_556 ?
C37 C38 C39 Cu1 -130.7(14) . . . 2_556 ?
Cu2 C38 C39 Cu1 83.22(15) 2_556 . . 2_556 ?
C37 C38 C39 Cu4 -160.3(10) . . . . ?
Cu2 C38 C39 Cu4 53.6(8) 2_556 . . . ?
Cu1 C38 C39 Cu4 -29.6(8) 2_556 . . . ?
N8 N7 C59 C58 0.3(7) . . . . ?
Cu6 N7 C59 C58 163.9(5) . . . . ?
N8 N7 C59 C60 178.4(5) . . . . ?
Cu6 N7 C59 C60 -18.0(9) . . . . ?
N7 N8 C57 C58 0.4(7) . . . . ?
Cu7 N8 C57 C58 -174.7(5) . . . . ?
N7 N8 C57 C56 178.3(5) . . . . ?
Cu7 N8 C57 C56 3.3(10) . . . . ?
C21 C22 C23 Cu3 -9(2) . . . . ?
Cu5 C22 C23 Cu3 174.8(5) . . . . ?
C21 C22 C23 Cu4 -175.5(15) . . . . ?
Cu5 C22 C23 Cu4 8.0(9) . . . . ?
C21 C22 C23 Cu5 176(2) . . . . ?
N6 N5 C2 C3 0.1(7) . . . . ?
Cu5 N5 C2 C3 -174.6(5) . . . . ?
N6 N5 C2 C1 179.1(6) . . . . ?
Cu5 N5 C2 C1 4.5(10) . . . . ?
N2 N1 C12 C13 1.3(7) . . . . ?
Cu1 N1 C12 C13 -162.3(5) . . . . ?
N2 N1 C12 C11 -176.5(5) . . . . ?
Cu1 N1 C12 C11 20.0(9) . . . . ?
C84 C83 C82 C81 -170.2(11) . . . . ?
Cu8 C83 C82 C81 -18.5(9) 2_665 . . . ?
Cu6 C83 C82 C81 85.1(7) 2_665 . . . ?
C84 C83 C82 C77 11.8(15) . . . . ?
Cu8 C83 C82 C77 163.6(5) 2_665 . . . ?
Cu6 C83 C82 C77 -92.8(6) 2_665 . . . ?
N11 N12 C47 C48 0.3(7) . . . . ?
Cu10 N12 C47 C48 -176.6(5) . . . . ?
N11 N12 C47 C46 -179.4(6) . . . . ?
Cu10 N12 C47 C46 3.7(10) . . . . ?
C73 C74 C69 C70 -0.1(9) . . . . ?
C75 C74 C69 C70 179.2(6) . . . . ?
N12 N11 C49 C48 0.3(7) . . . . ?
N12 N11 C49 C50 -177.3(6) . . . . ?
N9 N10 C54 C53 -0.2(7) . . . . ?
Cu8 N10 C54 C53 167.6(5) . . . . ?
N9 N10 C54 C55 -179.4(5) . . . . ?
Cu8 N10 C54 C55 -11.7(10) . . . . ?
F31 C55 C54 N10 -121.0(7) . . . . ?
F33 C55 C54 N10 4.5(9) . . . . ?
F32 C55 C54 N10 121.7(7) . . . . ?
F31 C55 C54 C53 59.9(9) . . . . ?
F33 C55 C54 C53 -174.6(7) . . . . ?
F32 C55 C54 C53 -57.4(9) . . . . ?
N4 N3 C7 C8 -0.8(8) . . . . ?
Cu2 N3 C7 C8 173.6(5) . . . . ?
N4 N3 C7 C6 178.2(7) . . . . ?
Cu2 N3 C7 C6 -7.4(11) . . . . ?
C66 C65 C64 C63 -0.6(10) . . . . ?
C67 C65 C64 C63 -179.8(6) . . . . ?
C39 C38 C37 C32 -170.1(12) . . . . ?
Cu2 C38 C37 C32 -32.1(9) 2_556 . . . ?
Cu1 C38 C37 C32 69.3(8) 2_556 . . . ?
C39 C38 C37 C36 10.5(17) . . . . ?
Cu2 C38 C37 C36 148.6(5) 2_556 . . . ?
Cu1 C38 C37 C36 -110.1(6) 2_556 . . . ?
N10 N9 C52 C53 0.3(7) . . . . ?
Cu7 N9 C52 C53 179.8(5) . . . . ?
N10 N9 C52 C51 177.0(5) . . . . ?
Cu7 N9 C52 C51 -3.6(10) . . . . ?
C77 C82 C81 C80 -0.5(10) . . . . ?
C83 C82 C81 C80 -178.3(6) . . . . ?
C88 N13 C86 C85 -177.1(5) . . . . ?
C89 N13 C86 C85 57.1(7) . . . . ?
N3 N4 C9 C8 -0.4(8) . . . . ?
Cu3 N4 C9 C8 174.8(6) . . . . ?
N3 N4 C9 C10 176.9(7) . . . . ?
Cu3 N4 C9 C10 -8.0(12) . . . . ?
N8 C57 C56 F34 -69.7(8) . . . . ?
C58 C57 C56 F34 107.9(8) . . . . ?
N8 C57 C56 F35 169.5(6) . . . . ?
C58 C57 C56 F35 -12.9(9) . . . . ?
N8 C57 C56 F36 51.6(8) . . . . ?
C58 C57 C56 F36 -130.8(7) . . . . ?
N7 C59 C60 F39 149.7(6) . . . . ?
C58 C59 C60 F39 -32.6(10) . . . . ?
N7 C59 C60 F37 28.3(9) . . . . ?
C58 C59 C60 F37 -154.1(7) . . . . ?
N7 C59 C60 F38 -91.6(7) . . . . ?
C58 C59 C60 F38 86.1(8) . . . . ?
N1 N2 C14 C13 0.3(7) . . . . ?
Cu3 N2 C14 C13 177.0(5) . . . . ?
N1 N2 C14 C15 -175.4(6) . . . . ?
Cu3 N2 C14 C15 1.2(10) . . . . ?
C86 N13 C89 C90 55.5(7) . . . . ?
C88 N13 C89 C90 -71.3(7) . . . . ?
C20 C21 C16 C17 0.1(9) . . . . ?
C22 C21 C16 C17 -179.2(6) . . . . ?
N4 C9 C8 C7 -0.1(9) . . . . ?
C10 C9 C8 C7 -177.1(8) . . . . ?
N3 C7 C8 C9 0.6(9) . . . . ?
C6 C7 C8 C9 -178.4(8) . . . . ?
N5 C2 C1 F1 0.2(9) . . . . ?
C3 C2 C1 F1 179.0(7) . . . . ?
N5 C2 C1 F2 -121.0(7) . . . . ?
C3 C2 C1 F2 57.8(10) . . . . ?
N5 C2 C1 F3 120.1(7) . . . . ?
C3 C2 C1 F3 -61.1(10) . . . . ?
C18 C19 C20 C21 2.0(11) . . . . ?
C16 C21 C20 C19 -1.0(10) . . . . ?
C22 C21 C20 C19 178.4(6) . . . . ?
C74 C73 C72 C71 -1.0(10) . . . . ?
N8 C57 C58 C59 -0.2(7) . . . . ?
C56 C57 C58 C59 -178.0(6) . . . . ?
N7 C59 C58 C57 -0.1(7) . . . . ?
C60 C59 C58 C57 -178.0(6) . . . . ?
N9 C52 C53 C54 -0.4(7) . . . . ?
C51 C52 C53 C54 -176.8(6) . . . . ?
N10 C54 C53 C52 0.3(7) . . . . ?
C55 C54 C53 C52 179.5(6) . . . . ?
C74 C69 C70 C71 0.1(10) . . . . ?
C73 C72 C71 C70 1.1(10) . . . . ?
C69 C70 C71 C72 -0.6(10) . . . . ?
C29 C28 C27 C26 0.9(11) . . . . ?
C30 C28 C27 C26 179.0(7) . . . . ?
N9 C52 C51 F30 113.2(9) . . . . ?
C53 C52 C51 F30 -70.8(10) . . . . ?
N9 C52 C51 F29 -124.9(8) . . . . ?
C53 C52 C51 F29 51.1(10) . . . . ?
N9 C52 C51 F28 -9.3(10) . . . . ?
C53 C52 C51 F28 166.7(8) . . . . ?
C44 N14 C41 C40 60.8(8) . . . . ?
C42 N14 C41 C40 -65.9(7) . . . . ?
C20 C19 C18 C17 -2.1(11) . . . . ?
C65 C66 C61 C62 -0.5(10) . . . . ?
C44 N14 C42 C43 68.6(7) . . . . ?
C41 N14 C42 C43 -164.1(6) . . . . ?
C86 N13 C88 C87 61.1(7) . . . . ?
C89 N13 C88 C87 -171.5(6) . . . . ?
C28 C29 C24 C25 -0.4(11) . . . . ?
N1 C12 C11 F21 -64.9(9) . . . . ?
C13 C12 C11 F21 117.7(9) . . . . ?
N1 C12 C11 F20 170.3(7) . . . . ?
C13 C12 C11 F20 -7.0(11) . . . . ?
N1 C12 C11 F19 53.5(9) . . . . ?
C13 C12 C11 F19 -123.8(8) . . . . ?
N2 C14 C15 F16 -25.2(9) . . . . ?
C13 C14 C15 F16 159.9(7) . . . . ?
N2 C14 C15 F18 -148.2(6) . . . . ?
C13 C14 C15 F18 36.8(10) . . . . ?
N2 C14 C15 F17 93.1(7) . . . . ?
C13 C14 C15 F17 -81.9(9) . . . . ?
C32 C37 C36 C35 0.3(10) . . . . ?
C38 C37 C36 C35 179.7(6) . . . . ?
N2 C14 C13 C12 0.5(7) . . . . ?
C15 C14 C13 C12 175.8(7) . . . . ?
N1 C12 C13 C14 -1.1(7) . . . . ?
C11 C12 C13 C14 176.4(6) . . . . ?
C19 C18 C17 C16 1.3(11) . . . . ?
C21 C16 C17 C18 -0.3(10) . . . . ?
C65 C64 C63 C62 0.1(11) . . . . ?
N5 C2 C3 C4 0.2(8) . . . . ?
C1 C2 C3 C4 -178.8(7) . . . . ?
C66 C61 C62 C63 0.1(11) . . . . ?
C64 C63 C62 C61 0.1(12) . . . . ?
C36 C37 C32 C33 -1.4(10) . . . . ?
C38 C37 C32 C33 179.3(6) . . . . ?
N3 C7 C6 F10 27.3(14) . . . . ?
C8 C7 C6 F10 -153.9(11) . . . . ?
N3 C7 C6 F12 -171.8(10) . . . . ?
C8 C7 C6 F12 7.0(15) . . . . ?
N3 C7 C6 F13 -114.2(10) . . . . ?
C8 C7 C6 F13 64.6(13) . . . . ?
N3 C7 C6 F15 6.1(14) . . . . ?
C8 C7 C6 F15 -175.1(11) . . . . ?
N3 C7 C6 F11 124.4(9) . . . . ?
C8 C7 C6 F11 -56.8(12) . . . . ?
N3 C7 C6 F14 -79.0(9) . . . . ?
C8 C7 C6 F14 99.8(10) . . . . ?
C29 C24 C25 C26 -0.2(11) . . . . ?
C41 N14 C44 C45 54.0(8) . . . . ?
C42 N14 C44 C45 -179.6(6) . . . . ?
N5 N6 C4 C3 0.5(8) . . . . ?
N5 N6 C4 C5 -179.5(6) . . . . ?
C2 C3 C4 N6 -0.4(8) . . . . ?
C2 C3 C4 C5 179.5(8) . . . . ?
N12 C47 C48 C49 -0.2(8) . . . . ?
C46 C47 C48 C49 179.6(8) . . . . ?
N11 C49 C48 C47 -0.1(8) . . . . ?
C50 C49 C48 C47 177.3(7) . . . . ?
C82 C81 C80 C79 0.0(11) . . . . ?
C77 C78 C79 C80 0.9(13) . . . . ?
C81 C80 C79 C78 -0.2(12) . . . . ?
C28 C27 C26 C25 -1.5(12) . . . . ?
C24 C25 C26 C27 1.1(12) . . . . ?
C37 C36 C35 C34 1.0(11) . . . . ?
C33 C34 C35 C36 -1.2(12) . . . . ?
C79 C78 C77 C82 -1.3(12) . . . . ?
C81 C82 C77 C78 1.1(10) . . . . ?
C83 C82 C77 C78 179.1(7) . . . . ?
N11 C49 C50 F27 -40.7(9) . . . . ?
C48 C49 C50 F27 142.1(7) . . . . ?
N11 C49 C50 F25 -162.3(6) . . . . ?
C48 C49 C50 F25 20.5(11) . . . . ?
N11 C49 C50 F26 79.6(8) . . . . ?
C48 C49 C50 F26 -97.6(8) . . . . ?
C35 C34 C33 C32 0.2(12) . . . . ?
C37 C32 C33 C34 1.2(12) . . . . ?
N6 C4 C5 F5 -59.9(11) . . . . ?
C3 C4 C5 F5 120.2(10) . . . . ?
N6 C4 C5 F4 178.6(6) . . . . ?
C3 C4 C5 F4 -1.4(12) . . . . ?
N6 C4 C5 F6 61.0(9) . . . . ?
C3 C4 C5 F6 -118.9(9) . . . . ?
N4 C9 C10 F7 -173.0(7) . . . . ?
C8 C9 C10 F7 3.8(12) . . . . ?
N4 C9 C10 F8 -51.1(11) . . . . ?
C8 C9 C10 F8 125.6(9) . . . . ?
N4 C9 C10 F9 68.8(9) . . . . ?
C8 C9 C10 F9 -114.5(9) . . . . ?
N12 C47 C46 F23 -32.0(12) . . . . ?
C48 C47 C46 F23 148.3(9) . . . . ?
N12 C47 C46 F22 -167.8(7) . . . . ?
C48 C47 C46 F22 12.6(12) . . . . ?
N12 C47 C46 F42 156.5(10) . . . . ?
C48 C47 C46 F42 -23.2(14) . . . . ?
N12 C47 C46 F41 31.9(12) . . . . ?
C48 C47 C46 F41 -147.8(11) . . . . ?
N12 C47 C46 F40 -82.9(11) . . . . ?
C48 C47 C46 F40 97.4(12) . . . . ?
N12 C47 C46 F24 86.4(8) . . . . ?
C48 C47 C46 F24 -93.3(9) . . . . ?

_refine_diff_density_max         2.233
_refine_diff_density_min         -2.235
_refine_diff_density_rms         0.170



####################################################################### 
# 
# 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_Cu18
_audit_block_doi                 10.5517/ccdc.csd.cc2c89xw
_database_code_depnum_ccdc_archive 'CCDC 2182738'
loop_
_audit_author_name
_audit_author_address
'Sukao Peng'
;Jinan University
China
;
_audit_update_record             
;
2022-06-29 deposited with the CCDC.	2022-08-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C127 H68 Cl Cu18 F36 N12'
_chemical_formula_weight         3625.10

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   18.3419(2)
_cell_length_b                   17.1774(2)
_cell_length_c                   20.5081(3)
_cell_angle_alpha                90
_cell_angle_beta                 90.7870(10)
_cell_angle_gamma                90
_cell_volume                     6460.80(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(11)
_cell_measurement_reflns_used    17300
_cell_measurement_theta_min      4.0980
_cell_measurement_theta_max      77.1110

_exptl_crystal_description       block
_exptl_crystal_colour            yelloworange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.863
_exptl_crystal_F_000             3554
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    4.215
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100.00(11)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            35544
_diffrn_reflns_av_unetI/netI     0.0391
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         4.116
_diffrn_reflns_theta_max         77.868
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             13212
_reflns_number_gt                11447
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1254P)²+30.0806P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13212
_refine_ls_number_parameters     814
_refine_ls_number_restraints     190
_refine_ls_R_factor_all          0.0828
_refine_ls_R_factor_gt           0.0763
_refine_ls_wR_factor_ref         0.2201
_refine_ls_wR_factor_gt          0.2141
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.078
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu4 Cu 0.61590(4) 0.39332(4) 0.47782(4) 0.02933(19) Uani 1 1 d . . . . .
Cu5 Cu 0.74212(4) 0.40471(4) 0.41594(4) 0.03111(19) Uani 1 1 d . . . . .
Cu7 Cu 0.44412(4) 0.52875(5) 0.42133(4) 0.03208(19) Uani 1 1 d . . . . .
Cu9 Cu 0.68888(4) 0.51141(5) 0.53666(4) 0.0335(2) Uani 1 1 d . . . . .
Cu2 Cu 0.67198(4) 0.24866(5) 0.46580(4) 0.0354(2) Uani 1 1 d . . . . .
Cu8 Cu 0.57495(4) 0.54266(5) 0.45347(4) 0.0347(2) Uani 1 1 d . . . . .
Cu3 Cu 0.57653(4) 0.31388(5) 0.58182(4) 0.0355(2) Uani 1 1 d . . . . .
Cu6 Cu 0.50510(4) 0.39660(5) 0.40326(4) 0.0354(2) Uani 1 1 d . . . . .
Cu1 Cu 0.64078(4) 0.30870(5) 0.33937(5) 0.0383(2) Uani 1 1 d . . . . .
F16 F 0.7824(2) 0.6129(4) 0.6159(3) 0.0867(16) Uani 1 1 d . . . . .
N5 N 0.8103(2) 0.4826(3) 0.4526(2) 0.0339(10) Uani 1 1 d . . . . .
N6 N 0.7904(2) 0.5213(3) 0.5075(3) 0.0351(10) Uani 1 1 d . . . . .
F13 F 0.6665(3) 0.1777(4) 0.7612(2) 0.0844(16) Uani 1 1 d . . . . .
N1 N 0.5035(2) 0.3722(3) 0.3068(2) 0.0369(10) Uani 1 1 d . . . . .
N4 N 0.6679(3) 0.1861(3) 0.5455(3) 0.0379(11) Uani 1 1 d . . . . .
F15 F 0.5937(4) 0.2633(3) 0.7207(2) 0.0818(16) Uani 1 1 d . . . . .
F2 F 0.3999(3) 0.5032(3) 0.2897(3) 0.0730(8) Uani 1 1 d . . . . .
F3 F 0.3421(3) 0.3954(4) 0.3023(3) 0.092(2) Uani 1 1 d . . . . .
N3 N 0.6307(3) 0.2161(3) 0.5963(3) 0.0371(10) Uani 1 1 d . . . . .
F11 F 0.7759(3) 0.0132(3) 0.5554(3) 0.0883(17) Uani 1 1 d . . . . .
F14 F 0.5588(3) 0.1465(4) 0.7293(3) 0.0830(16) Uani 1 1 d . . . . .
N2 N 0.5599(3) 0.3307(3) 0.2845(2) 0.0408(11) Uani 1 1 d . . . . .
F9 F 0.9587(3) 0.4094(3) 0.3977(3) 0.0868(17) Uani 1 1 d . . . . .
F5 F 0.6672(3) 0.2789(6) 0.1993(3) 0.125(3) Uani 1 1 d . . . . .
F8 F 0.9622(4) 0.5201(5) 0.3563(3) 0.0790(16) Uani 0.75 1 d . . P A 1
F10 F 0.7894(6) 0.1100(7) 0.4790(5) 0.0730(8) Uani 0.5 1 d . U P B 1
C29 C 0.6658(3) 0.3952(5) 0.5649(4) 0.0537(9) Uani 1 1 d . U . . .
C55 C 0.6375(3) 0.4649(3) 0.4037(3) 0.0318(11) Uani 1 1 d . . . . .
F1 F 0.3551(3) 0.4402(5) 0.2070(3) 0.115(3) Uani 1 1 d . . . . .
C42 C 0.7252(3) 0.2912(3) 0.3877(3) 0.0356(12) Uani 1 1 d . . . . .
C9 C 0.5562(3) 0.3013(3) 0.4530(3) 0.0327(11) Uani 1 1 d . . . . .
C10 C 0.5388(3) 0.2343(3) 0.4395(3) 0.0348(12) Uani 1 1 d . . . . .
C56 C 0.5082(3) 0.6127(3) 0.3990(3) 0.0350(11) Uani 1 1 d . . . . .
C54 C 0.6631(3) 0.4913(3) 0.3541(3) 0.0363(12) Uani 1 1 d . . . . .
C57 C 0.5288(3) 0.6774(3) 0.3773(3) 0.0357(12) Uani 1 1 d . . . . .
C33 C 0.8788(3) 0.5034(4) 0.4393(3) 0.0376(12) Uani 1 1 d . . . . .
C8 C 0.4089(3) 0.4266(3) 0.4446(3) 0.0347(12) Uani 1 1 d . . . . .
C7 C 0.3622(3) 0.3807(3) 0.4670(3) 0.0379(13) Uani 1 1 d . . . . .
C58 C 0.5706(3) 0.7388(4) 0.3483(4) 0.0448(14) Uani 1 1 d . . . . .
F7 F 0.8690(14) 0.4080(14) 0.3519(13) 0.0730(8) Uani 0.25 1 d . U P A 1
C28 C 0.7104(3) 0.3921(5) 0.6096(4) 0.0537(9) Uani 1 1 d . . . . .
F12 F 0.7053(4) 0.0397(4) 0.4758(4) 0.108(2) Uani 1 1 d . . . . .
C41 C 0.7793(3) 0.2890(3) 0.4256(3) 0.0359(12) Uani 1 1 d . . . . .
C32 C 0.9057(3) 0.5552(4) 0.4847(3) 0.0464(15) Uani 1 1 d . . . . .
H32 H 0.951508 0.578310 0.486588 0.056 Uiso 1 1 calc R U . . .
C31 C 0.8482(3) 0.5649(4) 0.5270(4) 0.0497(16) Uani 1 1 d . U . . .
C18 C 0.7043(4) 0.1231(4) 0.5686(4) 0.0460(15) Uani 1 1 d . . . . .
C53 C 0.6897(3) 0.5226(3) 0.2953(2) 0.0573(17) Uani 1 1 d G U . . .
C52 C 0.7508(4) 0.5705(4) 0.2958(3) 0.081(2) Uani 1 1 d G U . . .
H52 H 0.775000 0.581318 0.334894 0.098 Uiso 1 1 calc R U . . .
C51 C 0.7756(4) 0.6023(5) 0.2379(3) 0.105(3) Uani 1 1 d G U . . .
H51 H 0.816516 0.634355 0.238215 0.125 Uiso 1 1 calc R U . . .
C50 C 0.7394(5) 0.5862(5) 0.1794(3) 0.111(3) Uani 1 1 d G U . . .
H50 H 0.756078 0.607442 0.140684 0.134 Uiso 1 1 calc R U . . .
C49 C 0.6784(5) 0.5383(5) 0.1789(2) 0.113(3) Uani 1 1 d G U . . .
H49 H 0.654125 0.527494 0.139831 0.136 Uiso 1 1 calc R U . . .
C48 C 0.6535(4) 0.5065(4) 0.2369(3) 0.091(3) Uani 1 1 d G U . . .
H48 H 0.612608 0.474457 0.236509 0.110 Uiso 1 1 calc R U . . .
C39 C 0.8510(3) 0.2735(4) 0.4542(4) 0.0456(15) Uani 1 1 d . . . . .
C20 C 0.6457(3) 0.1717(4) 0.6492(3) 0.0416(13) Uani 1 1 d . . . . .
C34 C 0.9168(3) 0.4718(5) 0.3810(3) 0.0552(17) Uani 1 1 d D U . . .
C19 C 0.6925(4) 0.1124(4) 0.6336(4) 0.0526(17) Uani 1 1 d . . . . .
H19 H 0.711641 0.074004 0.660886 0.063 Uiso 1 1 calc R U . . .
F17 F 0.8851(6) 0.5703(6) 0.6328(4) 0.0730(8) Uani 0.5 1 d D U P C 2
C4 C 0.3269(3) 0.3077(2) 0.4824(3) 0.0559(17) Uani 1 1 d G U . . .
C5 C 0.2877(4) 0.3001(3) 0.5396(3) 0.081(2) Uani 1 1 d G U . . .
H5 H 0.285290 0.341402 0.568776 0.097 Uiso 1 1 calc R U . . .
C6 C 0.2521(4) 0.2306(3) 0.5532(3) 0.097(3) Uani 1 1 d G U . . .
H6 H 0.225901 0.225458 0.591403 0.116 Uiso 1 1 calc R U . . .
C1 C 0.2558(4) 0.1688(3) 0.5096(4) 0.103(3) Uani 1 1 d G U . . .
H1 H 0.231956 0.122337 0.518623 0.124 Uiso 1 1 calc R U . . .
C2 C 0.2950(4) 0.1765(3) 0.4524(4) 0.103(3) Uani 1 1 d G U . . .
H2 H 0.297402 0.135160 0.423215 0.124 Uiso 1 1 calc R U . . .
C3 C 0.3306(4) 0.2460(3) 0.4388(3) 0.086(2) Uani 1 1 d G U . . .
H3 H 0.356792 0.251104 0.400587 0.103 Uiso 1 1 calc R U . . .
C26 C 0.7636(3) 0.3810(3) 0.6612(3) 0.065(2) Uani 1 1 d G U . . .
C25 C 0.7898(4) 0.4437(3) 0.6974(4) 0.108(3) Uani 1 1 d G U . . .
H25 H 0.772794 0.493703 0.688700 0.130 Uiso 1 1 calc R U . . .
C24 C 0.8415(5) 0.4317(4) 0.7466(4) 0.121(3) Uani 1 1 d G U . . .
H24 H 0.859023 0.473639 0.770806 0.146 Uiso 1 1 calc R U . . .
C23 C 0.8669(4) 0.3570(4) 0.7596(3) 0.105(3) Uani 1 1 d G U . . .
H23 H 0.901491 0.348950 0.792488 0.126 Uiso 1 1 calc R U . . .
C22 C 0.8407(4) 0.2943(3) 0.7234(3) 0.086(3) Uani 1 1 d G U . . .
H22 H 0.857730 0.244325 0.732065 0.104 Uiso 1 1 calc R U . . .
C27 C 0.7890(3) 0.3063(3) 0.6742(3) 0.069(2) Uani 1 1 d G U . . .
H27 H 0.771501 0.264388 0.649958 0.082 Uiso 1 1 calc R U . . .
C46 C 0.4581(4) 0.3865(5) 0.2565(3) 0.0504(16) Uani 1 1 d . . . . .
F18 F 0.8794(6) 0.6756(5) 0.5929(5) 0.0730(8) Uani 0.5 1 d D U P C 1
C40 C 0.8706(4) 0.3030(5) 0.5141(4) 0.061(2) Uani 1 1 d . . . . .
H40 H 0.836992 0.331934 0.537477 0.074 Uiso 1 1 calc R U . . .
C21 C 0.6160(5) 0.1903(5) 0.7144(4) 0.061(2) Uani 1 1 d . . . . .
C47 C 0.3892(5) 0.4317(6) 0.2644(5) 0.072(3) Uani 1 1 d . . . . .
C44 C 0.5484(4) 0.3196(6) 0.2202(4) 0.069(2) Uani 1 1 d . U . . .
C17 C 0.7473(4) 0.0736(4) 0.5234(6) 0.082(3) Uani 1 1 d D U . . .
C63 C 0.6109(5) 0.7240(6) 0.2934(4) 0.072(2) Uani 1 1 d . . . . .
H63 H 0.610363 0.675160 0.273866 0.086 Uiso 1 1 calc R U . . .
C45 C 0.4840(4) 0.3537(7) 0.2001(4) 0.074(3) Uani 1 1 d . . . . .
H45 H 0.463073 0.354445 0.158488 0.089 Uiso 1 1 calc R U . . .
C38 C 0.9009(4) 0.2300(5) 0.4207(6) 0.075(3) Uani 1 1 d . . . . .
H38 H 0.888391 0.208719 0.380422 0.090 Uiso 1 1 calc R U . . .
C35 C 0.9394(5) 0.2904(7) 0.5401(5) 0.081(3) Uani 1 1 d . . . . .
H35 H 0.951761 0.310520 0.580889 0.098 Uiso 1 1 calc R U . . .
C30 C 0.8451(3) 0.6091(4) 0.5873(3) 0.0537(9) Uani 1 1 d D U . . .
F4 F 0.6053(6) 0.3263(7) 0.1187(5) 0.0730(8) Uani 0.5 1 d . U P D 1
C59 C 0.5741(6) 0.8096(5) 0.3782(6) 0.083(3) Uani 1 1 d . . . . .
H59 H 0.546971 0.818980 0.415289 0.099 Uiso 1 1 calc R U . . .
C36 C 0.9892(4) 0.2485(6) 0.5059(7) 0.096(4) Uani 1 1 d . . . . .
H36 H 1.035944 0.240958 0.522803 0.115 Uiso 1 1 calc R U . . .
C61 C 0.6569(5) 0.8567(6) 0.2977(5) 0.074(3) Uani 1 1 d . . . . .
H61 H 0.685166 0.896318 0.280314 0.089 Uiso 1 1 calc R U . . .
C43 C 0.6008(5) 0.2814(6) 0.1807(4) 0.090(3) Uani 1 1 d D U . . .
C60 C 0.6190(6) 0.8686(5) 0.3528(7) 0.093(4) Uani 1 1 d . . . . .
H60 H 0.622551 0.916185 0.374196 0.112 Uiso 1 1 calc R U . . .
C37 C 0.9703(5) 0.2178(7) 0.4473(8) 0.105(4) Uani 1 1 d . . . . .
H37 H 1.003930 0.188278 0.424504 0.126 Uiso 1 1 calc R U . . .
C62 C 0.6530(6) 0.7850(8) 0.2676(5) 0.091(3) Uani 1 1 d . . . . .
H62 H 0.678692 0.776689 0.229491 0.109 Uiso 1 1 calc R U . . .
C12 C 0.4697(4) 0.1127(4) 0.4552(3) 0.110(3) Uani 1 1 d G U . . .
H12 H 0.450886 0.132511 0.493648 0.132 Uiso 1 1 calc R U . . .
C13 C 0.4497(4) 0.0388(4) 0.4340(4) 0.122(3) Uani 1 1 d G U . . .
H13 H 0.417485 0.009108 0.458283 0.146 Uiso 1 1 calc R U . . .
C14 C 0.4777(4) 0.0092(3) 0.3764(4) 0.094(3) Uani 1 1 d G U . . .
H14 H 0.464355 -0.040264 0.362265 0.113 Uiso 1 1 calc R U . . .
C15 C 0.5258(4) 0.0536(4) 0.3401(3) 0.100(3) Uani 1 1 d G U . . .
H15 H 0.544626 0.033765 0.301611 0.120 Uiso 1 1 calc R U . . .
C16 C 0.5458(4) 0.1275(3) 0.3613(3) 0.085(2) Uani 1 1 d G U . . .
H16 H 0.578027 0.157167 0.336975 0.102 Uiso 1 1 calc R U . . .
C11 C 0.5178(3) 0.1571(3) 0.4188(3) 0.0548(17) Uani 1 1 d G U . . .
F6 F 0.5805(6) 0.2125(5) 0.1594(6) 0.0730(8) Uani 0.5 1 d D . P D 1
Cl1 Cl 0.5624(2) 0.4583(3) 0.0312(2) 0.0729(12) Uani 0.5 1 d D . P . .
C64 C 0.5162(15) 0.5224(14) -0.0228(11) 0.188(17) Uani 0.5 1 d D U P . .
H64A H 0.535989 0.512590 -0.065130 0.225 Uiso 0.5 1 d R U P . .
H64B H 0.535739 0.571360 -0.008210 0.225 Uiso 0.5 1 d R U P . .
F19 F 0.8538(5) 0.6836(4) 0.5679(5) 0.0867(16) Uani 0.5 1 d D . P C 2
F20 F 0.9033(4) 0.6105(8) 0.6235(5) 0.0867(16) Uani 0.5 1 d D . P C 2
F21 F 0.8062(5) 0.1113(6) 0.5052(7) 0.0883(17) Uani 0.5 1 d D . P B 2
F22 F 0.8724(4) 0.4371(5) 0.3389(3) 0.0790(16) Uani 0.75 1 d D . P A 2
F23 F 0.8799(8) 0.4896(10) 0.3268(5) 0.047(3) Uani 0.25 1 d D . P A 2
F25 F 0.5854(6) 0.2574(14) 0.1212(5) 0.125(3) Uani 0.5 1 d D . P D 2
F24 F 0.5931(6) 0.2056(6) 0.1910(6) 0.125(3) Uani 0.5 1 d D . P D 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu4 C9 1.985(5) . ?
Cu4 C29 1.996(7) . ?
Cu4 C55 1.998(6) . ?
Cu4 Cu6 2.5271(11) . ?
Cu4 Cu3 2.6411(12) . ?
Cu4 Cu5 2.6625(11) . ?
Cu4 Cu2 2.7019(11) . ?
Cu4 Cu9 2.7053(10) . ?
Cu4 Cu7 2.7101(11) 3_666 ?
Cu4 Cu8 2.7174(11) . ?
Cu5 N5 1.974(5) . ?
Cu5 C42 2.056(5) . ?
Cu5 C41 2.109(6) . ?
Cu5 C55 2.191(5) . ?
Cu5 C54 2.423(6) . ?
Cu5 Cu1 2.9258(11) . ?
Cu7 C56 1.919(6) . ?
Cu7 C8 1.932(6) . ?
Cu7 C29 2.422(6) 3_666 ?
Cu7 Cu8 2.4913(11) . ?
Cu7 Cu6 2.5598(11) . ?
Cu7 Cu9 2.6884(11) 3_666 ?
Cu7 Cu3 2.7302(11) 3_666 ?
Cu7 Cu8 2.8714(12) 3_666 ?
Cu9 N6 1.971(5) . ?
Cu9 C7 2.078(6) 3_666 ?
Cu9 C29 2.124(9) . ?
Cu9 C8 2.125(5) 3_666 ?
Cu9 Cu8 2.7327(11) . ?
Cu2 N4 1.958(5) . ?
Cu2 C42 2.024(6) . ?
Cu2 C41 2.254(6) . ?
Cu2 C9 2.320(5) . ?
Cu2 C10 2.507(6) . ?
Cu2 Cu1 2.8413(13) . ?
Cu8 C56 2.038(6) . ?
Cu8 C55 2.043(5) . ?
Cu8 C8 2.172(6) 3_666 ?
Cu8 C7 2.381(6) 3_666 ?
Cu8 Cu6 2.9934(11) . ?
Cu3 N3 1.971(5) . ?
Cu3 C56 2.044(5) 3_666 ?
Cu3 C57 2.122(6) 3_666 ?
Cu3 C29 2.183(8) . ?
Cu6 N1 2.021(5) . ?
Cu6 C8 2.035(6) . ?
Cu6 C9 2.138(5) . ?
Cu1 C42 1.851(6) . ?
Cu1 N2 1.889(5) . ?
F16 C30 1.300(8) . ?
N5 C33 1.338(7) . ?
N5 N6 1.361(7) . ?
N6 C31 1.354(7) . ?
F13 C21 1.343(9) . ?
N1 C46 1.340(8) . ?
N1 N2 1.342(7) . ?
N4 C18 1.353(7) . ?
N4 N3 1.355(7) . ?
F15 C21 1.325(10) . ?
F2 C47 1.348(11) . ?
F3 C47 1.327(12) . ?
N3 C20 1.352(7) . ?
F11 C17 1.332(10) . ?
F14 C21 1.329(10) . ?
N2 C44 1.345(8) . ?
F9 C34 1.360(10) . ?
F5 C43 1.273(10) . ?
F8 C34 1.284(10) . ?
F10 C17 1.354(17) . ?
C29 C28 1.221(10) . ?
C55 C54 1.215(9) . ?
F1 C47 1.333(9) . ?
C42 C41 1.254(8) . ?
C9 C10 1.226(8) . ?
C10 C11 1.443(6) . ?
C56 C57 1.258(8) . ?
C54 C53 1.414(8) . ?
C57 C58 1.437(8) . ?
C33 C32 1.374(8) . ?
C33 C34 1.496(9) . ?
C8 C7 1.255(9) . ?
C7 C4 1.448(7) . ?
C58 C59 1.363(11) . ?
C58 C63 1.380(11) . ?
F7 C34 1.52(2) . ?
C28 C26 1.442(8) . ?
F12 C17 1.365(13) . ?
C41 C39 1.457(8) . ?
C32 C31 1.384(9) . ?
C32 H32 0.9300 . ?
C31 C30 1.453(9) . ?
C18 C19 1.366(11) . ?
C18 C17 1.493(12) . ?
C53 C52 1.3900 . ?
C53 C48 1.3900 . ?
C52 C51 1.3900 . ?
C52 H52 0.9300 . ?
C51 C50 1.3900 . ?
C51 H51 0.9300 . ?
C50 C49 1.3900 . ?
C50 H50 0.9300 . ?
C49 C48 1.3900 . ?
C49 H49 0.9300 . ?
C48 H48 0.9300 . ?
C39 C40 1.372(11) . ?
C39 C38 1.372(11) . ?
C20 C19 1.373(10) . ?
C20 C21 1.486(11) . ?
C34 F22 1.320(5) . ?
C34 F23 1.329(5) . ?
C19 H19 0.9300 . ?
F17 F20 0.792(14) . ?
F17 C30 1.354(5) . ?
C4 C5 1.3900 . ?
C4 C3 1.3900 . ?
C5 C6 1.3900 . ?
C5 H5 0.9300 . ?
C6 C1 1.3900 . ?
C6 H6 0.9300 . ?
C1 C2 1.3900 . ?
C1 H1 0.9300 . ?
C2 C3 1.3900 . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C26 C25 1.3900 . ?
C26 C27 1.3900 . ?
C25 C24 1.3900 . ?
C25 H25 0.9300 . ?
C24 C23 1.3900 . ?
C24 H24 0.9300 . ?
C23 C22 1.3900 . ?
C23 H23 0.9300 . ?
C22 C27 1.3900 . ?
C22 H22 0.9300 . ?
C27 H27 0.9300 . ?
C46 C45 1.379(11) . ?
C46 C47 1.492(11) . ?
F18 C30 1.309(5) . ?
C40 C35 1.380(10) . ?
C40 H40 0.9300 . ?
C44 C45 1.377(11) . ?
C44 C43 1.424(12) . ?
C17 F21 1.318(5) . ?
C63 C62 1.407(14) . ?
C63 H63 0.9300 . ?
C45 H45 0.9300 . ?
C38 C37 1.393(12) . ?
C38 H38 0.9300 . ?
C35 C36 1.366(17) . ?
C35 H35 0.9300 . ?
C30 F20 1.293(5) . ?
C30 F19 1.350(5) . ?
F4 C43 1.490(15) . ?
C59 C60 1.410(12) . ?
C59 H59 0.9300 . ?
C36 C37 1.353(19) . ?
C36 H36 0.9300 . ?
C61 C60 1.349(16) . ?
C61 C62 1.380(16) . ?
C61 H61 0.9300 . ?
C43 F6 1.314(5) . ?
C43 F25 1.316(5) . ?
C43 F24 1.327(5) . ?
C60 H60 0.9300 . ?
C37 H37 0.9300 . ?
C62 H62 0.9300 . ?
C12 C13 1.3900 . ?
C12 C11 1.3900 . ?
C12 H12 0.9300 . ?
C13 C14 1.3900 . ?
C13 H13 0.9300 . ?
C14 C15 1.3900 . ?
C14 H14 0.9300 . ?
C15 C16 1.3900 . ?
C15 H15 0.9300 . ?
C16 C11 1.3900 . ?
C16 H16 0.9300 . ?
Cl1 C64 1.49(2) 3_665 ?
Cl1 C64 1.771(5) . ?
C64 C64 1.36(5) 3_665 ?
C64 H64A 0.9598 . ?
C64 H64B 0.9599 . ?
F22 F23 0.946(16) . ?
F25 F24 1.69(2) . ?

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
C9 Cu4 C29 119.1(3) . . ?
C9 Cu4 C55 114.2(2) . . ?
C29 Cu4 C55 125.3(3) . . ?
C9 Cu4 Cu6 55.01(16) . . ?
C29 Cu4 Cu6 153.6(2) . . ?
C55 Cu4 Cu6 72.07(15) . . ?
C9 Cu4 Cu3 68.87(17) . . ?
C29 Cu4 Cu3 54.0(2) . . ?
C55 Cu4 Cu3 172.37(16) . . ?
Cu6 Cu4 Cu3 105.88(4) . . ?
C9 Cu4 Cu5 114.63(16) . . ?
C29 Cu4 Cu5 92.0(2) . . ?
C55 Cu4 Cu5 53.83(15) . . ?
Cu6 Cu4 Cu5 114.04(4) . . ?
Cu3 Cu4 Cu5 132.23(4) . . ?
C9 Cu4 Cu2 56.89(15) . . ?
C29 Cu4 Cu2 85.8(2) . . ?
C55 Cu4 Cu2 114.63(16) . . ?
Cu6 Cu4 Cu2 105.63(4) . . ?
Cu3 Cu4 Cu2 72.98(3) . . ?
Cu5 Cu4 Cu2 71.91(3) . . ?
C9 Cu4 Cu9 168.27(18) . . ?
C29 Cu4 Cu9 51.0(2) . . ?
C55 Cu4 Cu9 77.06(15) . . ?
Cu6 Cu4 Cu9 129.94(4) . . ?
Cu3 Cu4 Cu9 99.57(4) . . ?
Cu5 Cu4 Cu9 74.30(3) . . ?
Cu2 Cu4 Cu9 122.93(4) . . ?
C9 Cu4 Cu7 111.12(17) . 3_666 ?
C29 Cu4 Cu7 59.67(18) . 3_666 ?
C55 Cu4 Cu7 111.30(16) . 3_666 ?
Cu6 Cu4 Cu7 96.83(3) . 3_666 ?
Cu3 Cu4 Cu7 61.34(3) . 3_666 ?
Cu5 Cu4 Cu7 133.82(4) . 3_666 ?
Cu2 Cu4 Cu7 133.08(4) . 3_666 ?
Cu9 Cu4 Cu7 59.53(3) . 3_666 ?
C9 Cu4 Cu8 123.67(16) . . ?
C29 Cu4 Cu8 105.8(2) . . ?
C55 Cu4 Cu8 48.45(15) . . ?
Cu6 Cu4 Cu8 69.50(3) . . ?
Cu3 Cu4 Cu8 123.93(4) . . ?
Cu5 Cu4 Cu8 94.76(3) . . ?
Cu2 Cu4 Cu8 162.95(4) . . ?
Cu9 Cu4 Cu8 60.52(3) . . ?
Cu7 Cu4 Cu8 63.88(3) 3_666 . ?
N5 Cu5 C42 147.5(2) . . ?
N5 Cu5 C41 113.6(2) . . ?
C42 Cu5 C41 35.0(2) . . ?
N5 Cu5 C55 105.86(19) . . ?
C42 Cu5 C55 106.6(2) . . ?
C41 Cu5 C55 137.4(2) . . ?
N5 Cu5 C54 98.86(19) . . ?
C42 Cu5 C54 110.3(2) . . ?
C41 Cu5 C54 144.9(2) . . ?
C55 Cu5 C54 30.0(2) . . ?
N5 Cu5 Cu4 114.79(14) . . ?
C42 Cu5 Cu4 86.31(16) . . ?
C41 Cu5 Cu4 99.67(16) . . ?
C55 Cu5 Cu4 47.40(15) . . ?
C54 Cu5 Cu4 77.10(15) . . ?
N5 Cu5 Cu1 168.88(15) . . ?
C42 Cu5 Cu1 38.90(17) . . ?
C41 Cu5 Cu1 73.84(16) . . ?
C55 Cu5 Cu1 69.84(14) . . ?
C54 Cu5 Cu1 72.19(13) . . ?
Cu4 Cu5 Cu1 70.38(3) . . ?
C56 Cu7 C8 161.6(2) . . ?
C56 Cu7 C29 97.8(3) . 3_666 ?
C8 Cu7 C29 100.3(3) . 3_666 ?
C56 Cu7 Cu8 53.13(17) . . ?
C8 Cu7 Cu8 110.24(16) . . ?
C29 Cu7 Cu8 135.87(16) 3_666 . ?
C56 Cu7 Cu6 111.18(16) . . ?
C8 Cu7 Cu6 51.59(16) . . ?
C29 Cu7 Cu6 149.46(18) 3_666 . ?
Cu8 Cu7 Cu6 72.67(3) . . ?
C56 Cu7 Cu9 146.16(16) . 3_666 ?
C8 Cu7 Cu9 51.66(16) . 3_666 ?
C29 Cu7 Cu9 48.8(2) 3_666 3_666 ?
Cu8 Cu7 Cu9 144.57(5) . 3_666 ?
Cu6 Cu7 Cu9 102.65(4) . 3_666 ?
C56 Cu7 Cu4 93.86(17) . 3_666 ?
C8 Cu7 Cu4 96.85(17) . 3_666 ?
C29 Cu7 Cu4 45.36(18) 3_666 3_666 ?
Cu8 Cu7 Cu4 98.66(4) . 3_666 ?
Cu6 Cu7 Cu4 137.00(4) . 3_666 ?
Cu9 Cu7 Cu4 60.15(3) 3_666 3_666 ?
C56 Cu7 Cu3 48.39(16) . 3_666 ?
C8 Cu7 Cu3 149.12(16) . 3_666 ?
C29 Cu7 Cu3 49.70(19) 3_666 3_666 ?
Cu8 Cu7 Cu3 92.53(4) . 3_666 ?
Cu6 Cu7 Cu3 159.28(4) . 3_666 ?
Cu9 Cu7 Cu3 97.79(3) 3_666 3_666 ?
Cu4 Cu7 Cu3 58.08(3) 3_666 3_666 ?
C56 Cu7 Cu8 128.05(18) . 3_666 ?
C8 Cu7 Cu8 49.14(17) . 3_666 ?
C29 Cu7 Cu8 90.8(2) 3_666 3_666 ?
Cu8 Cu7 Cu8 86.17(4) . 3_666 ?
Cu6 Cu7 Cu8 79.01(3) . 3_666 ?
Cu9 Cu7 Cu8 58.77(3) 3_666 3_666 ?
Cu4 Cu7 Cu8 58.18(3) 3_666 3_666 ?
Cu3 Cu7 Cu8 115.19(4) 3_666 3_666 ?
N6 Cu9 C7 109.9(2) . 3_666 ?
N6 Cu9 C29 110.9(2) . . ?
C7 Cu9 C29 139.2(2) 3_666 . ?
N6 Cu9 C8 144.6(2) . 3_666 ?
C7 Cu9 C8 34.7(2) 3_666 3_666 ?
C29 Cu9 C8 104.4(2) . 3_666 ?
N6 Cu9 Cu7 169.93(15) . 3_666 ?
C7 Cu9 Cu7 80.16(16) 3_666 3_666 ?
C29 Cu9 Cu7 59.06(17) . 3_666 ?
C8 Cu9 Cu7 45.48(16) 3_666 3_666 ?
N6 Cu9 Cu4 113.12(14) . . ?
C7 Cu9 Cu4 115.63(16) 3_666 . ?
C29 Cu9 Cu4 46.96(19) . . ?
C8 Cu9 Cu4 92.44(15) 3_666 . ?
Cu7 Cu9 Cu4 60.32(3) 3_666 . ?
N6 Cu9 Cu8 120.74(16) . . ?
C7 Cu9 Cu8 57.43(17) 3_666 . ?
C29 Cu9 Cu8 101.62(18) . . ?
C8 Cu9 Cu8 51.28(16) 3_666 . ?
Cu7 Cu9 Cu8 63.96(3) 3_666 . ?
Cu4 Cu9 Cu8 59.96(3) . . ?
N4 Cu2 C42 152.0(2) . . ?
N4 Cu2 C41 121.2(2) . . ?
C42 Cu2 C41 33.5(2) . . ?
N4 Cu2 C9 105.2(2) . . ?
C42 Cu2 C9 102.7(2) . . ?
C41 Cu2 C9 129.9(2) . . ?
N4 Cu2 C10 94.4(2) . . ?
C42 Cu2 C10 110.1(2) . . ?
C41 Cu2 C10 143.6(2) . . ?
C9 Cu2 C10 29.09(19) . . ?
N4 Cu2 Cu4 114.19(15) . . ?
C42 Cu2 Cu4 85.89(15) . . ?
C41 Cu2 Cu4 94.92(14) . . ?
C9 Cu2 Cu4 45.79(14) . . ?
C10 Cu2 Cu4 74.88(13) . . ?
N4 Cu2 Cu1 162.04(15) . . ?
C42 Cu2 Cu1 40.51(17) . . ?
C41 Cu2 Cu1 73.77(15) . . ?
C9 Cu2 Cu1 65.34(15) . . ?
C10 Cu2 Cu1 69.87(14) . . ?
Cu4 Cu2 Cu1 71.17(3) . . ?
C56 Cu8 C55 116.7(2) . . ?
C56 Cu8 C8 117.2(2) . 3_666 ?
C55 Cu8 C8 124.7(2) . 3_666 ?
C56 Cu8 C7 109.3(2) . 3_666 ?
C55 Cu8 C7 115.7(2) . 3_666 ?
C8 Cu8 C7 31.6(2) 3_666 3_666 ?
C56 Cu8 Cu7 48.89(17) . . ?
C55 Cu8 Cu7 110.51(15) . . ?
C8 Cu8 Cu7 113.33(15) 3_666 . ?
C7 Cu8 Cu7 133.58(14) 3_666 . ?
C56 Cu8 Cu4 145.10(17) . . ?
C55 Cu8 Cu4 47.04(16) . . ?
C8 Cu8 Cu4 91.07(15) 3_666 . ?
C7 Cu8 Cu4 105.42(15) 3_666 . ?
Cu7 Cu8 Cu4 102.76(4) . . ?
C56 Cu8 Cu9 155.00(17) . . ?
C55 Cu8 Cu9 75.73(15) . . ?
C8 Cu8 Cu9 49.75(14) 3_666 . ?
C7 Cu8 Cu9 47.32(14) 3_666 . ?
Cu7 Cu8 Cu9 150.68(5) . . ?
Cu4 Cu8 Cu9 59.52(3) . . ?
C56 Cu8 Cu7 131.47(17) . 3_666 ?
C55 Cu8 Cu7 104.07(16) . 3_666 ?
C8 Cu8 Cu7 42.26(16) 3_666 3_666 ?
C7 Cu8 Cu7 71.76(16) 3_666 3_666 ?
Cu7 Cu8 Cu7 93.83(4) . 3_666 ?
Cu4 Cu8 Cu7 57.94(3) . 3_666 ?
Cu9 Cu8 Cu7 57.27(3) . 3_666 ?
C56 Cu8 Cu6 93.16(17) . . ?
C55 Cu8 Cu6 61.35(15) . . ?
C8 Cu8 Cu6 125.92(16) 3_666 . ?
C7 Cu8 Cu6 154.12(16) 3_666 . ?
Cu7 Cu8 Cu6 54.72(3) . . ?
Cu4 Cu8 Cu6 52.26(3) . . ?
Cu9 Cu8 Cu6 111.72(3) . . ?
Cu7 Cu8 Cu6 83.84(3) 3_666 . ?
N3 Cu3 C56 151.6(2) . 3_666 ?
N3 Cu3 C57 117.4(2) . 3_666 ?
C56 Cu3 C57 35.1(2) 3_666 3_666 ?
N3 Cu3 C29 101.0(2) . . ?
C56 Cu3 C29 102.1(2) 3_666 . ?
C57 Cu3 C29 134.9(2) 3_666 . ?
N3 Cu3 Cu4 114.75(16) . . ?
C56 Cu3 Cu4 93.05(17) 3_666 . ?
C57 Cu3 Cu4 122.89(16) 3_666 . ?
C29 Cu3 Cu4 47.7(2) . . ?
N3 Cu3 Cu7 156.42(14) . 3_666 ?
C56 Cu3 Cu7 44.59(17) 3_666 3_666 ?
C57 Cu3 Cu7 79.19(15) 3_666 3_666 ?
C29 Cu3 Cu7 57.79(18) . 3_666 ?
Cu4 Cu3 Cu7 60.58(3) . 3_666 ?
N1 Cu6 C8 117.3(2) . . ?
N1 Cu6 C9 108.0(2) . . ?
C8 Cu6 C9 111.8(2) . . ?
N1 Cu6 Cu4 126.02(14) . . ?
C8 Cu6 Cu4 116.64(16) . . ?
C9 Cu6 Cu4 49.51(15) . . ?
N1 Cu6 Cu7 108.96(15) . . ?
C8 Cu6 Cu7 48.06(17) . . ?
C9 Cu6 Cu7 143.06(16) . . ?
Cu4 Cu6 Cu7 106.36(4) . . ?
N1 Cu6 Cu8 120.71(15) . . ?
C8 Cu6 Cu8 90.79(16) . . ?
C9 Cu6 Cu8 107.14(15) . . ?
Cu4 Cu6 Cu8 58.25(3) . . ?
Cu7 Cu6 Cu8 52.61(3) . . ?
C42 Cu1 N2 174.9(3) . . ?
C42 Cu1 Cu2 45.27(19) . . ?
N2 Cu1 Cu2 139.78(17) . . ?
C42 Cu1 Cu5 44.25(17) . . ?
N2 Cu1 Cu5 134.05(18) . . ?
Cu2 Cu1 Cu5 66.19(3) . . ?
C33 N5 N6 107.5(4) . . ?
C33 N5 Cu5 134.1(4) . . ?
N6 N5 Cu5 118.0(3) . . ?
C31 N6 N5 107.2(5) . . ?
C31 N6 Cu9 134.2(4) . . ?
N5 N6 Cu9 118.3(3) . . ?
C46 N1 N2 108.0(5) . . ?
C46 N1 Cu6 135.7(5) . . ?
N2 N1 Cu6 116.3(4) . . ?
C18 N4 N3 106.6(5) . . ?
C18 N4 Cu2 135.0(5) . . ?
N3 N4 Cu2 117.3(3) . . ?
C20 N3 N4 107.7(5) . . ?
C20 N3 Cu3 134.2(5) . . ?
N4 N3 Cu3 117.8(4) . . ?
N1 N2 C44 107.4(5) . . ?
N1 N2 Cu1 120.4(4) . . ?
C44 N2 Cu1 131.8(5) . . ?
C28 C29 Cu4 164.8(6) . . ?
C28 C29 Cu9 96.4(6) . . ?
Cu4 C29 Cu9 82.0(3) . . ?
C28 C29 Cu3 110.4(7) . . ?
Cu4 C29 Cu3 78.2(2) . . ?
Cu9 C29 Cu3 142.9(3) . . ?
C28 C29 Cu7 119.1(5) . 3_666 ?
Cu4 C29 Cu7 75.0(2) . 3_666 ?
Cu9 C29 Cu7 72.2(2) . 3_666 ?
Cu3 C29 Cu7 72.51(19) . 3_666 ?
C54 C55 Cu4 161.8(5) . . ?
C54 C55 Cu8 113.6(4) . . ?
Cu4 C55 Cu8 84.5(2) . . ?
C54 C55 Cu5 85.6(4) . . ?
Cu4 C55 Cu5 78.77(19) . . ?
Cu8 C55 Cu5 138.4(3) . . ?
C41 C42 Cu1 170.6(5) . . ?
C41 C42 Cu2 83.3(4) . . ?
Cu1 C42 Cu2 94.2(2) . . ?
C41 C42 Cu5 74.8(4) . . ?
Cu1 C42 Cu5 96.8(2) . . ?
Cu2 C42 Cu5 101.1(2) . . ?
C10 C9 Cu4 161.3(5) . . ?
C10 C9 Cu6 120.0(4) . . ?
Cu4 C9 Cu6 75.49(19) . . ?
C10 C9 Cu2 83.9(4) . . ?
Cu4 C9 Cu2 77.31(17) . . ?
Cu6 C9 Cu2 138.3(3) . . ?
C9 C10 C11 175.9(6) . . ?
C9 C10 Cu2 67.0(3) . . ?
C11 C10 Cu2 114.2(4) . . ?
C57 C56 Cu7 159.4(5) . . ?
C57 C56 Cu8 122.3(5) . . ?
Cu7 C56 Cu8 78.0(2) . . ?
C57 C56 Cu3 75.9(4) . 3_666 ?
Cu7 C56 Cu3 87.0(2) . 3_666 ?
Cu8 C56 Cu3 135.4(3) . 3_666 ?
C55 C54 C53 177.4(6) . . ?
C55 C54 Cu5 64.4(3) . . ?
C53 C54 Cu5 118.0(4) . . ?
C56 C57 C58 163.7(6) . . ?
C56 C57 Cu3 69.1(3) . 3_666 ?
C58 C57 Cu3 127.2(4) . 3_666 ?
N5 C33 C32 111.4(5) . . ?
N5 C33 C34 120.9(5) . . ?
C32 C33 C34 127.7(5) . . ?
C7 C8 Cu7 153.3(5) . . ?
C7 C8 Cu6 126.3(4) . . ?
Cu7 C8 Cu6 80.3(2) . . ?
C7 C8 Cu9 70.6(3) . 3_666 ?
Cu7 C8 Cu9 82.9(2) . 3_666 ?
Cu6 C8 Cu9 160.3(3) . 3_666 ?
C7 C8 Cu8 83.4(4) . 3_666 ?
Cu7 C8 Cu8 88.6(2) . 3_666 ?
Cu6 C8 Cu8 110.8(2) . 3_666 ?
Cu9 C8 Cu8 78.97(19) 3_666 3_666 ?
C8 C7 C4 159.0(6) . . ?
C8 C7 Cu9 74.7(4) . 3_666 ?
C4 C7 Cu9 125.2(4) . 3_666 ?
C8 C7 Cu8 65.0(4) . 3_666 ?
C4 C7 Cu8 122.8(5) . 3_666 ?
Cu9 C7 Cu8 75.25(18) 3_666 3_666 ?
C59 C58 C63 120.5(7) . . ?
C59 C58 C57 119.5(7) . . ?
C63 C58 C57 119.9(7) . . ?
C29 C28 C26 174.8(8) . . ?
C42 C41 C39 163.3(6) . . ?
C42 C41 Cu5 70.2(3) . . ?
C39 C41 Cu5 119.9(4) . . ?
C42 C41 Cu2 63.1(4) . . ?
C39 C41 Cu2 125.8(5) . . ?
Cu5 C41 Cu2 92.4(2) . . ?
C33 C32 C31 103.5(5) . . ?
C33 C32 H32 128.3 . . ?
C31 C32 H32 128.3 . . ?
N6 C31 C32 110.4(6) . . ?
N6 C31 C30 120.1(6) . . ?
C32 C31 C30 129.3(5) . . ?
N4 C18 C19 111.5(6) . . ?
N4 C18 C17 119.9(7) . . ?
C19 C18 C17 128.5(7) . . ?
C52 C53 C48 120.0 . . ?
C52 C53 C54 120.4(4) . . ?
C48 C53 C54 119.6(4) . . ?
C51 C52 C53 120.0 . . ?
C51 C52 H52 120.0 . . ?
C53 C52 H52 120.0 . . ?
C52 C51 C50 120.0 . . ?
C52 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
C49 C50 C51 120.0 . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
C50 C49 C48 120.0 . . ?
C50 C49 H49 120.0 . . ?
C48 C49 H49 120.0 . . ?
C49 C48 C53 120.0 . . ?
C49 C48 H48 120.0 . . ?
C53 C48 H48 120.0 . . ?
C40 C39 C38 118.7(7) . . ?
C40 C39 C41 121.1(6) . . ?
C38 C39 C41 120.2(7) . . ?
N3 C20 C19 110.7(6) . . ?
N3 C20 C21 121.9(6) . . ?
C19 C20 C21 127.4(6) . . ?
F22 C34 F23 41.8(7) . . ?
F8 C34 F9 103.9(6) . . ?
F22 C34 F9 98.6(8) . . ?
F23 C34 F9 132.2(10) . . ?
F8 C34 C33 113.1(7) . . ?
F22 C34 C33 113.5(6) . . ?
F23 C34 C33 110.4(9) . . ?
F9 C34 C33 110.7(6) . . ?
F8 C34 F7 133.2(12) . . ?
F9 C34 F7 81.5(10) . . ?
C33 C34 F7 107.7(12) . . ?
C18 C19 C20 103.5(6) . . ?
C18 C19 H19 128.2 . . ?
C20 C19 H19 128.2 . . ?
F20 F17 C30 68.4(6) . . ?
C5 C4 C3 120.0 . . ?
C5 C4 C7 120.4(4) . . ?
C3 C4 C7 119.6(4) . . ?
C6 C5 C4 120.0 . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C1 C6 C5 120.0 . . ?
C1 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C1 C2 120.0 . . ?
C6 C1 H1 120.0 . . ?
C2 C1 H1 120.0 . . ?
C3 C2 C1 120.0 . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C2 C3 C4 120.0 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C25 C26 C27 120.0 . . ?
C25 C26 C28 121.0(4) . . ?
C27 C26 C28 119.0(4) . . ?
C24 C25 C26 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C24 C23 120.0 . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 C23 C22 120.0 . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C22 C27 120.0 . . ?
C23 C22 H22 120.0 . . ?
C27 C22 H22 120.0 . . ?
C22 C27 C26 120.0 . . ?
C22 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
N1 C46 C45 110.7(6) . . ?
N1 C46 C47 122.0(6) . . ?
C45 C46 C47 127.2(7) . . ?
C39 C40 C35 121.0(9) . . ?
C39 C40 H40 119.5 . . ?
C35 C40 H40 119.5 . . ?
F15 C21 F14 105.6(7) . . ?
F15 C21 F13 107.0(7) . . ?
F14 C21 F13 106.5(6) . . ?
F15 C21 C20 114.1(6) . . ?
F14 C21 C20 112.7(7) . . ?
F13 C21 C20 110.5(7) . . ?
F3 C47 F1 105.5(8) . . ?
F3 C47 F2 107.2(8) . . ?
F1 C47 F2 107.7(8) . . ?
F3 C47 C46 112.2(8) . . ?
F1 C47 C46 110.4(8) . . ?
F2 C47 C46 113.4(7) . . ?
N2 C44 C45 110.8(7) . . ?
N2 C44 C43 121.6(7) . . ?
C45 C44 C43 127.4(7) . . ?
F21 C17 F11 101.6(8) . . ?
F11 C17 F10 117.8(8) . . ?
F21 C17 F12 117.7(12) . . ?
F11 C17 F12 103.6(7) . . ?
F10 C17 F12 92.2(10) . . ?
F21 C17 C18 109.8(8) . . ?
F11 C17 C18 110.2(9) . . ?
F10 C17 C18 117.8(8) . . ?
F12 C17 C18 113.0(7) . . ?
C58 C63 C62 118.2(10) . . ?
C58 C63 H63 120.9 . . ?
C62 C63 H63 120.9 . . ?
C44 C45 C46 103.1(6) . . ?
C44 C45 H45 128.5 . . ?
C46 C45 H45 128.5 . . ?
C39 C38 C37 119.9(11) . . ?
C39 C38 H38 120.1 . . ?
C37 C38 H38 120.1 . . ?
C36 C35 C40 119.9(10) . . ?
C36 C35 H35 120.1 . . ?
C40 C35 H35 120.1 . . ?
F20 C30 F16 117.9(7) . . ?
F16 C30 F18 110.1(7) . . ?
F20 C30 F19 93.0(9) . . ?
F16 C30 F19 101.2(6) . . ?
F20 C30 F17 34.7(6) . . ?
F16 C30 F17 100.8(8) . . ?
F19 C30 F17 127.3(7) . . ?
F20 C30 C31 117.3(6) . . ?
F16 C30 C31 117.1(5) . . ?
F18 C30 C31 120.5(8) . . ?
F19 C30 C31 103.8(7) . . ?
F17 C30 C31 107.6(7) . . ?
C58 C59 C60 120.0(10) . . ?
C58 C59 H59 120.0 . . ?
C60 C59 H59 120.0 . . ?
C37 C36 C35 119.8(8) . . ?
C37 C36 H36 120.1 . . ?
C35 C36 H36 120.1 . . ?
C60 C61 C62 119.0(8) . . ?
C60 C61 H61 120.5 . . ?
C62 C61 H61 120.5 . . ?
F5 C43 F6 109.5(10) . . ?
F5 C43 F25 117.4(9) . . ?
F5 C43 F24 91.3(10) . . ?
F25 C43 F24 79.5(12) . . ?
F5 C43 C44 119.8(6) . . ?
F6 C43 C44 114.4(9) . . ?
F25 C43 C44 122.2(9) . . ?
F24 C43 C44 106.6(10) . . ?
F5 C43 F4 102.0(9) . . ?
F6 C43 F4 101.6(8) . . ?
C44 C43 F4 107.1(9) . . ?
C61 C60 C59 120.7(10) . . ?
C61 C60 H60 119.7 . . ?
C59 C60 H60 119.7 . . ?
C36 C37 C38 120.7(11) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 H37 119.7 . . ?
C61 C62 C63 121.5(10) . . ?
C61 C62 H62 119.3 . . ?
C63 C62 H62 119.3 . . ?
C13 C12 C11 120.0 . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C14 C13 C12 120.0 . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 120.0 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C16 C15 C14 120.0 . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C11 120.0 . . ?
C15 C16 H16 120.0 . . ?
C11 C16 H16 120.0 . . ?
C16 C11 C12 120.0 . . ?
C16 C11 C10 119.0(4) . . ?
C12 C11 C10 121.0(4) . . ?
C64 Cl1 C64 48.3(18) 3_665 . ?
C64 C64 Cl1 77(2) 3_665 3_665 ?
C64 C64 Cl1 54.9(7) 3_665 . ?
Cl1 C64 Cl1 131.7(18) 3_665 . ?
C64 C64 H64A 134.3 3_665 . ?
Cl1 C64 H64A 108.2 3_665 . ?
Cl1 C64 H64A 105.8 . . ?
C64 C64 H64B 116.5 3_665 . ?
Cl1 C64 H64B 101.4 3_665 . ?
Cl1 C64 H64B 100.1 . . ?
H64A C64 H64B 107.0 . . ?
F17 F20 C30 76.9(6) . . ?
F23 F22 C34 69.6(5) . . ?
F22 F23 C34 68.6(5) . . ?
C43 F25 F24 50.5(6) . . ?
C43 F24 F25 50.0(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C33 N5 N6 C31 -0.4(7) . . . . ?
Cu5 N5 N6 C31 173.7(5) . . . . ?
C33 N5 N6 Cu9 174.6(4) . . . . ?
Cu5 N5 N6 Cu9 -11.3(6) . . . . ?
C18 N4 N3 C20 0.8(6) . . . . ?
Cu2 N4 N3 C20 -168.8(4) . . . . ?
C18 N4 N3 Cu3 175.7(4) . . . . ?
Cu2 N4 N3 Cu3 6.0(5) . . . . ?
C46 N1 N2 C44 -0.2(8) . . . . ?
Cu6 N1 N2 C44 179.0(6) . . . . ?
C46 N1 N2 Cu1 173.3(5) . . . . ?
Cu6 N1 N2 Cu1 -7.5(6) . . . . ?
Cu2 Cu1 N2 N1 50.0(6) . . . . ?
Cu5 Cu1 N2 N1 -55.9(6) . . . . ?
Cu2 Cu1 N2 C44 -138.4(7) . . . . ?
Cu5 Cu1 N2 C44 115.7(8) . . . . ?
Cu5 Cu1 C42 Cu2 101.7(3) . . . . ?
Cu2 Cu1 C42 Cu5 -101.7(3) . . . . ?
Cu4 C9 C10 Cu2 0.4(15) . . . . ?
Cu6 C9 C10 Cu2 143.7(5) . . . . ?
Cu4 C55 C54 Cu5 -31.0(14) . . . . ?
Cu8 C55 C54 Cu5 141.8(4) . . . . ?
Cu7 C56 C57 C58 -147.2(18) . . . . ?
Cu8 C56 C57 C58 43(3) . . . . ?
Cu3 C56 C57 C58 178(2) 3_666 . . . ?
Cu7 C56 C57 Cu3 34.5(14) . . . 3_666 ?
Cu8 C56 C57 Cu3 -135.2(5) . . . 3_666 ?
N6 N5 C33 C32 0.3(7) . . . . ?
Cu5 N5 C33 C32 -172.4(5) . . . . ?
N6 N5 C33 C34 -179.2(6) . . . . ?
Cu5 N5 C33 C34 8.1(10) . . . . ?
Cu7 C8 C7 C4 169.5(12) . . . . ?
Cu6 C8 C7 C4 -6(2) . . . . ?
Cu9 C8 C7 C4 162.5(19) 3_666 . . . ?
Cu8 C8 C7 C4 -116.9(18) 3_666 . . . ?
Cu7 C8 C7 Cu9 7.0(11) . . . 3_666 ?
Cu6 C8 C7 Cu9 -168.4(5) . . . 3_666 ?
Cu8 C8 C7 Cu9 80.58(16) 3_666 . . 3_666 ?
Cu7 C8 C7 Cu8 -73.6(10) . . . 3_666 ?
Cu6 C8 C7 Cu8 111.0(5) . . . 3_666 ?
Cu9 C8 C7 Cu8 -80.58(16) 3_666 . . 3_666 ?
C56 C57 C58 C59 -134(2) . . . . ?
Cu3 C57 C58 C59 43.9(10) 3_666 . . . ?
C56 C57 C58 C63 41(3) . . . . ?
Cu3 C57 C58 C63 -140.9(7) 3_666 . . . ?
Cu2 C42 C41 C39 126(2) . . . . ?
Cu5 C42 C41 C39 -130(2) . . . . ?
Cu2 C42 C41 Cu5 -103.41(19) . . . . ?
Cu5 C42 C41 Cu2 103.41(19) . . . . ?
N5 C33 C32 C31 -0.1(8) . . . . ?
C34 C33 C32 C31 179.3(7) . . . . ?
N5 N6 C31 C32 0.4(8) . . . . ?
Cu9 N6 C31 C32 -173.5(5) . . . . ?
N5 N6 C31 C30 -175.9(6) . . . . ?
Cu9 N6 C31 C30 10.2(11) . . . . ?
C33 C32 C31 N6 -0.2(9) . . . . ?
C33 C32 C31 C30 175.7(7) . . . . ?
N3 N4 C18 C19 -1.1(7) . . . . ?
Cu2 N4 C18 C19 165.8(5) . . . . ?
N3 N4 C18 C17 176.2(6) . . . . ?
Cu2 N4 C18 C17 -16.9(10) . . . . ?
Cu5 C54 C53 C52 -62.3(6) . . . . ?
Cu5 C54 C53 C48 119.0(5) . . . . ?
C48 C53 C52 C51 0.0 . . . . ?
C54 C53 C52 C51 -178.7(7) . . . . ?
C53 C52 C51 C50 0.0 . . . . ?
C52 C51 C50 C49 0.0 . . . . ?
C51 C50 C49 C48 0.0 . . . . ?
C50 C49 C48 C53 0.0 . . . . ?
C52 C53 C48 C49 0.0 . . . . ?
C54 C53 C48 C49 178.7(7) . . . . ?
C42 C41 C39 C40 177.5(19) . . . . ?
Cu5 C41 C39 C40 53.5(8) . . . . ?
Cu2 C41 C39 C40 -64.8(8) . . . . ?
C42 C41 C39 C38 -1(3) . . . . ?
Cu5 C41 C39 C38 -125.2(7) . . . . ?
Cu2 C41 C39 C38 116.5(7) . . . . ?
N4 N3 C20 C19 -0.2(7) . . . . ?
Cu3 N3 C20 C19 -173.9(5) . . . . ?
N4 N3 C20 C21 177.5(6) . . . . ?
Cu3 N3 C20 C21 3.9(9) . . . . ?
N5 C33 C34 F8 147.6(7) . . . . ?
C32 C33 C34 F8 -31.7(11) . . . . ?
N5 C33 C34 F22 13.6(11) . . . . ?
C32 C33 C34 F22 -165.8(8) . . . . ?
N5 C33 C34 F23 58.8(12) . . . . ?
C32 C33 C34 F23 -120.6(11) . . . . ?
N5 C33 C34 F9 -96.2(7) . . . . ?
C32 C33 C34 F9 84.4(9) . . . . ?
N5 C33 C34 F7 -8.8(13) . . . . ?
C32 C33 C34 F7 171.8(12) . . . . ?
N4 C18 C19 C20 1.0(8) . . . . ?
C17 C18 C19 C20 -176.1(7) . . . . ?
N3 C20 C19 C18 -0.4(7) . . . . ?
C21 C20 C19 C18 -178.0(7) . . . . ?
C8 C7 C4 C5 146.8(16) . . . . ?
Cu9 C7 C4 C5 -53.9(7) 3_666 . . . ?
Cu8 C7 C4 C5 40.9(6) 3_666 . . . ?
C8 C7 C4 C3 -35(2) . . . . ?
Cu9 C7 C4 C3 124.1(5) 3_666 . . . ?
Cu8 C7 C4 C3 -141.0(4) 3_666 . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C7 C4 C5 C6 178.1(6) . . . . ?
C4 C5 C6 C1 0.0 . . . . ?
C5 C6 C1 C2 0.0 . . . . ?
C6 C1 C2 C3 0.0 . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C5 C4 C3 C2 0.0 . . . . ?
C7 C4 C3 C2 -178.1(6) . . . . ?
C27 C26 C25 C24 0.0 . . . . ?
C28 C26 C25 C24 -179.6(7) . . . . ?
C26 C25 C24 C23 0.0 . . . . ?
C25 C24 C23 C22 0.0 . . . . ?
C24 C23 C22 C27 0.0 . . . . ?
C23 C22 C27 C26 0.0 . . . . ?
C25 C26 C27 C22 0.0 . . . . ?
C28 C26 C27 C22 179.6(7) . . . . ?
N2 N1 C46 C45 0.5(9) . . . . ?
Cu6 N1 C46 C45 -178.5(6) . . . . ?
N2 N1 C46 C47 180.0(8) . . . . ?
Cu6 N1 C46 C47 1.0(12) . . . . ?
C38 C39 C40 C35 1.0(12) . . . . ?
C41 C39 C40 C35 -177.8(7) . . . . ?
N3 C20 C21 F15 -19.6(10) . . . . ?
C19 C20 C21 F15 157.8(7) . . . . ?
N3 C20 C21 F14 100.8(8) . . . . ?
C19 C20 C21 F14 -81.9(9) . . . . ?
N3 C20 C21 F13 -140.2(7) . . . . ?
C19 C20 C21 F13 37.1(10) . . . . ?
N1 C46 C47 F3 -64.8(10) . . . . ?
C45 C46 C47 F3 114.6(10) . . . . ?
N1 C46 C47 F1 177.8(8) . . . . ?
C45 C46 C47 F1 -2.8(15) . . . . ?
N1 C46 C47 F2 56.8(12) . . . . ?
C45 C46 C47 F2 -123.8(10) . . . . ?
N1 N2 C44 C45 -0.1(11) . . . . ?
Cu1 N2 C44 C45 -172.6(7) . . . . ?
N1 N2 C44 C43 176.0(9) . . . . ?
Cu1 N2 C44 C43 3.6(14) . . . . ?
N4 C18 C17 F21 71.5(12) . . . . ?
C19 C18 C17 F21 -111.7(11) . . . . ?
N4 C18 C17 F11 -177.3(6) . . . . ?
C19 C18 C17 F11 -0.5(12) . . . . ?
N4 C18 C17 F10 43.7(13) . . . . ?
C19 C18 C17 F10 -139.5(10) . . . . ?
N4 C18 C17 F12 -62.0(9) . . . . ?
C19 C18 C17 F12 114.8(10) . . . . ?
C59 C58 C63 C62 -2.8(14) . . . . ?
C57 C58 C63 C62 -178.0(8) . . . . ?
N2 C44 C45 C46 0.4(12) . . . . ?
C43 C44 C45 C46 -175.5(10) . . . . ?
N1 C46 C45 C44 -0.5(11) . . . . ?
C47 C46 C45 C44 180.0(9) . . . . ?
C40 C39 C38 C37 -1.1(14) . . . . ?
C41 C39 C38 C37 177.6(9) . . . . ?
C39 C40 C35 C36 0.4(14) . . . . ?
F20 F17 C30 F16 -124.2(12) . . . . ?
F20 F17 C30 F19 -11.1(16) . . . . ?
F20 F17 C30 C31 112.7(12) . . . . ?
N6 C31 C30 F20 139.8(10) . . . . ?
C32 C31 C30 F20 -35.7(14) . . . . ?
N6 C31 C30 F16 -8.9(10) . . . . ?
C32 C31 C30 F16 175.6(8) . . . . ?
N6 C31 C30 F18 -147.4(8) . . . . ?
C32 C31 C30 F18 37.1(12) . . . . ?
N6 C31 C30 F19 -119.4(8) . . . . ?
C32 C31 C30 F19 65.1(10) . . . . ?
N6 C31 C30 F17 103.5(9) . . . . ?
C32 C31 C30 F17 -71.9(11) . . . . ?
C63 C58 C59 C60 0.3(16) . . . . ?
C57 C58 C59 C60 175.5(9) . . . . ?
C40 C35 C36 C37 -1.6(16) . . . . ?
N2 C44 C43 F5 -22.0(16) . . . . ?
C45 C44 C43 F5 153.4(12) . . . . ?
N2 C44 C43 F6 111.0(11) . . . . ?
C45 C44 C43 F6 -73.6(16) . . . . ?
N2 C44 C43 F25 167.3(15) . . . . ?
C45 C44 C43 F25 -17(2) . . . . ?
N2 C44 C43 F24 79.4(12) . . . . ?
C45 C44 C43 F24 -105.1(14) . . . . ?
N2 C44 C43 F4 -137.3(9) . . . . ?
C45 C44 C43 F4 38.2(14) . . . . ?
C62 C61 C60 C59 -2.1(17) . . . . ?
C58 C59 C60 C61 2.2(18) . . . . ?
C35 C36 C37 C38 1.4(18) . . . . ?
C39 C38 C37 C36 0.0(17) . . . . ?
C60 C61 C62 C63 -0.5(17) . . . . ?
C58 C63 C62 C61 2.9(16) . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C14 C15 C16 C11 0.0 . . . . ?
C15 C16 C11 C12 0.0 . . . . ?
C15 C16 C11 C10 -179.4(6) . . . . ?
C13 C12 C11 C16 0.0 . . . . ?
C13 C12 C11 C10 179.4(6) . . . . ?
Cu2 C10 C11 C16 -63.9(6) . . . . ?
Cu2 C10 C11 C12 116.7(5) . . . . ?
C64 Cl1 C64 Cl1 -0.001(5) 3_665 . . 3_665 ?
F16 C30 F20 F17 66.8(13) . . . . ?
F19 C30 F20 F17 171.2(13) . . . . ?
C31 C30 F20 F17 -81.6(14) . . . . ?
F9 C34 F22 F23 -148.1(12) . . . . ?
C33 C34 F22 F23 94.8(13) . . . . ?
F9 C34 F23 F22 44.9(16) . . . . ?
C33 C34 F23 F22 -102.8(11) . . . . ?
F5 C43 F25 F24 86.0(13) . . . . ?
C44 C43 F25 F24 -103.1(14) . . . . ?
F5 C43 F24 F25 -117.6(8) . . . . ?
C44 C43 F24 F25 120.7(9) . . . . ?

_refine_diff_density_max         1.814
_refine_diff_density_min         -1.684
_refine_diff_density_rms         0.156



