#------------------------------------------------------------------------------
#$Date: 2024-07-04 06:49:19 +0200 (Thu 04 de Jul de 2024) $
#$Revision: 292729 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/20/1572053.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1572053
loop_
_publ_author_name
'Zhong, Rui-Ru'
'Xie, Mo'
'Luan, Cui-Zhou'
'Zhang, Lin-Mei'
'Hao, De-Bo'
'Yuan, Shang-Fu'
'Wu, Tao'
_publ_section_title
;
 Highly intense NIR emissive Cu₄Pt₂ bimetallic
 clusters featuring Pt(i)-Cu₄-Pt(i) sandwich kernel.
;
_journal_issue                   20
_journal_name_full               'Chemical science'
_journal_page_first              7552
_journal_page_last               7559
_journal_paper_doi               10.1039/d4sc01022a
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C105 H74 Cl2 Cu4 F24 N4 P6 Pt2'
_chemical_formula_weight         2748.74
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2024-02-03 deposited with the CCDC.	2024-04-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.963(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.1604(8)
_cell_length_b                   14.9159(3)
_cell_length_c                   25.3705(8)
_cell_measurement_reflns_used    6531
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      64.9880
_cell_measurement_theta_min      4.0640
_cell_volume                     10658.0(5)
_computing_cell_refinement       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173.00(10)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0646
_diffrn_reflns_av_unetI/netI     0.0904
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            35641
_diffrn_reflns_point_group_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        65.037
_diffrn_reflns_theta_max         65.037
_diffrn_reflns_theta_min         3.502
_exptl_absorpt_coefficient_mu    7.753
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87961
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.82a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            brown-red
_exptl_crystal_density_diffrn    1.713
_exptl_crystal_description       block
_exptl_crystal_F_000             5376
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.459
_refine_diff_density_min         -1.340
_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1405
_refine_ls_number_reflns         17574
_refine_ls_number_restraints     244
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0948
_refine_ls_R_factor_gt           0.0596
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0624P)²+44.0100P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1366
_refine_ls_wR_factor_ref         0.1548
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12407
_reflns_number_total             17574
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc01022a2.cif
_cod_data_source_block           ysf25c5
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1572053
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Pt1 Pt 0.71829(2) 0.51341(3) 0.17011(2) 0.02335(11) Uani 1 1 d . . . . .
Pt2 Pt 0.76508(2) 0.30618(3) 0.29064(2) 0.02203(11) Uani 1 1 d . . . . .
Cu1 Cu 0.67876(5) 0.40679(10) 0.23525(6) 0.0270(3) Uani 1 1 d . . . . .
Cu2 Cu 0.75988(4) 0.49128(9) 0.28429(6) 0.0255(3) Uani 1 1 d . . . . .
Cu3 Cu 0.80486(5) 0.41506(9) 0.22431(6) 0.0256(3) Uani 1 1 d . . . . .
Cu4 Cu 0.72403(5) 0.33139(9) 0.17486(6) 0.0244(3) Uani 1 1 d . . . . .
P1 P 0.71287(9) 0.65436(17) 0.20643(12) 0.0294(6) Uani 1 1 d . . . . .
P2 P 0.81320(8) 0.35520(17) 0.37988(10) 0.0255(5) Uani 1 1 d . . . . .
P3 P 0.73885(8) 0.16388(16) 0.25531(10) 0.0238(5) Uani 1 1 d . . . . .
P4 P 0.70333(9) 0.47273(17) 0.07676(10) 0.0264(5) Uani 1 1 d . . . . .
F1 F 0.3968(6) 0.4303(16) 0.1497(10) 0.091(2) Uani 0.5 1 d . U P A 1
F1A F 0.3941(5) 0.4854(16) 0.1169(9) 0.091(2) Uani 0.5 1 d . U P A -1
F2 F 0.4221(6) 0.5106(16) 0.2240(9) 0.091(2) Uani 0.5 1 d . U P A 1
F2A F 0.4141(6) 0.5409(17) 0.1986(10) 0.091(2) Uani 0.5 1 d . U P A -1
F3 F 0.4062(5) 0.5709(15) 0.1477(9) 0.092(2) Uani 0.5 1 d . U P A 1
F3A F 0.4116(5) 0.4009(15) 0.1907(9) 0.091(2) Uani 0.5 1 d . U P A -1
F4 F 0.4757(5) 0.2529(9) 0.3526(7) 0.092(2) Uani 0.5 1 d D U P B 1
F4A F 0.4587(6) 0.4081(8) 0.3126(7) 0.092(2) Uani 0.5 1 d D U P B -1
F5 F 0.4650(6) 0.3997(8) 0.3399(7) 0.092(2) Uani 0.5 1 d D U P B 1
F5A F 0.4884(5) 0.3124(12) 0.3801(5) 0.092(2) Uani 0.5 1 d D U P B -1
F6 F 0.4458(5) 0.3078(12) 0.2683(5) 0.092(2) Uani 0.5 1 d D U P B 1
F6A F 0.4494(5) 0.2633(10) 0.2941(7) 0.092(2) Uani 0.5 1 d D U P B -1
F7 F 1.0007(4) 0.6767(8) 0.1240(7) 0.141(5) Uani 1 1 d . . . . .
F8 F 1.0039(3) 0.5418(8) 0.0976(5) 0.106(4) Uani 1 1 d . . . . .
F9 F 1.0379(3) 0.5777(10) 0.1821(5) 0.130(5) Uani 1 1 d . . . . .
F10 F 1.0138(4) 0.3405(9) 0.1464(6) 0.131(3) Uani 1 1 d . U . . .
F11 F 1.0481(4) 0.2490(8) 0.2064(6) 0.126(3) Uani 1 1 d . U . . .
F12 F 1.0534(4) 0.3870(9) 0.2217(6) 0.131(3) Uani 1 1 d . U . . .
N1 N 0.7127(3) 0.5766(5) 0.3015(3) 0.0284(19) Uani 1 1 d . . . . .
N2 N 0.8303(3) 0.5072(5) 0.3342(3) 0.0269(18) Uani 1 1 d . . . . .
N3 N 0.6716(3) 0.2376(6) 0.1653(3) 0.0319(19) Uani 1 1 d . . . . .
N4 N 0.7534(3) 0.3207(5) 0.1118(3) 0.0271(18) Uani 1 1 d . . . . .
C11 C 0.6529(3) 0.4909(7) 0.1708(4) 0.030(2) Uani 1 1 d . . . . .
C12 C 0.6162(3) 0.4765(7) 0.1791(4) 0.027(2) Uani 1 1 d . . . . .
C13 C 0.5675(3) 0.4749(7) 0.1783(4) 0.033(2) Uani 1 1 d . . . . .
C14 C 0.5323(4) 0.4264(10) 0.1393(7) 0.064(4) Uani 1 1 d . . . . .
H14 H 0.5396 0.3911 0.1132 0.077 Uiso 1 1 calc R U . . .
C15 C 0.4865(4) 0.4290(10) 0.1381(7) 0.066(4) Uani 1 1 d . . . . .
H15 H 0.4630 0.3963 0.1110 0.079 Uiso 1 1 calc R U . . .
C16 C 0.4754(4) 0.4786(9) 0.1759(5) 0.042(3) Uani 1 1 d . . . . .
C17 C 0.5099(5) 0.5236(12) 0.2164(7) 0.078(5) Uani 1 1 d . . . . .
H17 H 0.5023 0.5560 0.2433 0.094 Uiso 1 1 calc R U . . .
C18 C 0.5554(4) 0.5223(11) 0.2184(6) 0.070(5) Uani 1 1 d . . . . .
H18 H 0.5786 0.5534 0.2468 0.085 Uiso 1 1 calc R U . . .
C19 C 0.4262(5) 0.4837(15) 0.1731(8) 0.091(2) Uani 1 1 d . U . . .
C21 C 0.7023(3) 0.3242(7) 0.2997(4) 0.027(2) Uani 1 1 d . . . . .
C22 C 0.6613(3) 0.3344(7) 0.2983(4) 0.028(2) Uani 1 1 d . . . . .
C23 C 0.6160(3) 0.3329(7) 0.3053(4) 0.027(2) Uani 1 1 d . . . . .
C24 C 0.5796(5) 0.2826(11) 0.2708(7) 0.072(5) Uani 1 1 d . . . . .
H24 H 0.5839 0.2491 0.2421 0.087 Uiso 1 1 calc R U . . .
C25 C 0.5360(5) 0.2807(13) 0.2778(7) 0.082(5) Uani 1 1 d . . . . .
H25 H 0.5120 0.2444 0.2542 0.098 Uiso 1 1 calc R U . . .
C26 C 0.5277(4) 0.3283(9) 0.3166(5) 0.047(3) Uani 1 1 d . . . . .
C27 C 0.5614(5) 0.3828(10) 0.3492(8) 0.076(5) Uani 1 1 d . . . . .
H27 H 0.5549 0.4208 0.3746 0.091 Uiso 1 1 calc R U . . .
C28 C 0.6068(5) 0.3830(9) 0.3452(6) 0.059(4) Uani 1 1 d . . . . .
H28 H 0.6308 0.4177 0.3702 0.071 Uiso 1 1 calc R U . . .
C29 C 0.4796(4) 0.3252(7) 0.3227(5) 0.092(2) Uani 1 1 d D U . . .
C31 C 0.7856(3) 0.5238(7) 0.1775(4) 0.029(2) Uani 1 1 d . . . . .
C32 C 0.8275(3) 0.5211(7) 0.1801(4) 0.028(2) Uani 1 1 d . . . . .
C33 C 0.8723(3) 0.5351(7) 0.1712(5) 0.033(2) Uani 1 1 d . . . . .
C34 C 0.8860(4) 0.4795(9) 0.1359(5) 0.045(3) Uani 1 1 d . . . . .
H34 H 0.8677 0.4297 0.1195 0.054 Uiso 1 1 calc R U . . .
C35 C 0.9263(4) 0.4982(9) 0.1253(5) 0.054(3) Uani 1 1 d . . . . .
H35 H 0.9344 0.4617 0.1004 0.065 Uiso 1 1 calc R U . . .
C36 C 0.9549(4) 0.5684(10) 0.1500(6) 0.054(3) Uani 1 1 d . . . . .
C37 C 0.9424(5) 0.6199(13) 0.1865(8) 0.088(6) Uani 1 1 d . . . . .
H37 H 0.9621 0.6670 0.2048 0.106 Uiso 1 1 calc R U . . .
C38 C 0.9014(5) 0.6047(10) 0.1973(7) 0.076(5) Uani 1 1 d . . . . .
H38 H 0.8936 0.6416 0.2222 0.091 Uiso 1 1 calc R U . . .
C39 C 0.9999(7) 0.5899(14) 0.1390(8) 0.082(5) Uani 1 1 d . . . . .
C41 C 0.8242(3) 0.3048(6) 0.2715(4) 0.028(2) Uani 1 1 d . . . . .
C42 C 0.8589(3) 0.3151(6) 0.2577(4) 0.025(2) Uani 1 1 d . . . . .
C43 C 0.9022(3) 0.3131(7) 0.2458(4) 0.028(2) Uani 1 1 d . . . . .
C44 C 0.9386(4) 0.3737(9) 0.2707(5) 0.043(3) Uani 1 1 d . . . . .
H44 H 0.9361 0.4136 0.2977 0.052 Uiso 1 1 calc R U . . .
C45 C 0.9779(4) 0.3756(10) 0.2563(6) 0.054(3) Uani 1 1 d . . . . .
H45 H 1.0018 0.4172 0.2730 0.065 Uiso 1 1 calc R U . . .
C46 C 0.9825(4) 0.3156(8) 0.2166(5) 0.044(3) Uani 1 1 d . . . . .
C47 C 0.9471(4) 0.2549(8) 0.1917(5) 0.044(3) Uani 1 1 d . . . . .
H47 H 0.9502 0.2150 0.1651 0.053 Uiso 1 1 calc R U . . .
C48 C 0.9068(4) 0.2520(8) 0.2054(4) 0.038(3) Uani 1 1 d . . . . .
H48 H 0.8830 0.2104 0.1884 0.045 Uiso 1 1 calc R U . . .
C49 C 1.0218(7) 0.3143(17) 0.2008(12) 0.129(3) Uani 1 1 d . U . . .
C111 C 0.6715(4) 0.7316(7) 0.1571(5) 0.037(3) Uani 1 1 d . . . . .
C112 C 0.6756(5) 0.8211(8) 0.1617(7) 0.075(5) Uani 1 1 d . . . . .
H112 H 0.7009 0.8455 0.1911 0.090 Uiso 1 1 calc R U . . .
C113 C 0.6433(6) 0.8790(11) 0.1237(9) 0.098(6) Uani 1 1 d . . . . .
H113 H 0.6467 0.9408 0.1283 0.117 Uiso 1 1 calc R U . . .
C114 C 0.6066(5) 0.8432(10) 0.0796(6) 0.064(4) Uani 1 1 d . . . . .
H114 H 0.5853 0.8804 0.0530 0.077 Uiso 1 1 calc R U . . .
C115 C 0.6017(6) 0.7525(11) 0.0752(6) 0.071(4) Uani 1 1 d . . . . .
H115 H 0.5766 0.7270 0.0460 0.085 Uiso 1 1 calc R U . . .
C116 C 0.6341(5) 0.6991(9) 0.1145(6) 0.066(4) Uani 1 1 d . . . . .
H116 H 0.6299 0.6373 0.1114 0.079 Uiso 1 1 calc R U . . .
C121 C 0.7666(4) 0.7214(7) 0.2370(6) 0.043(3) Uani 1 1 d . . . . .
C122 C 0.7818(4) 0.7536(9) 0.2913(6) 0.059(4) Uani 1 1 d . . . . .
H122 H 0.7646 0.7405 0.3143 0.071 Uiso 1 1 calc R U . . .
C123 C 0.8222(5) 0.8048(10) 0.3122(8) 0.072(5) Uani 1 1 d . . . . .
H123 H 0.8327 0.8246 0.3494 0.086 Uiso 1 1 calc R U . . .
C124 C 0.8460(5) 0.8256(9) 0.2793(10) 0.084(6) Uani 1 1 d . . . . .
H124 H 0.8730 0.8612 0.2940 0.101 Uiso 1 1 calc R U . . .
C125 C 0.8326(5) 0.7969(10) 0.2241(9) 0.076(5) Uani 1 1 d . . . . .
H125 H 0.8502 0.8128 0.2020 0.091 Uiso 1 1 calc R U . . .
C126 C 0.7912(5) 0.7421(8) 0.2016(7) 0.058(4) Uani 1 1 d . . . . .
H126 H 0.7811 0.7212 0.1647 0.070 Uiso 1 1 calc R U . . .
C131 C 0.6924(3) 0.6452(7) 0.2663(5) 0.033(2) Uani 1 1 d . . . . .
C132 C 0.6594(3) 0.7023(7) 0.2745(5) 0.037(3) Uani 1 1 d . . . . .
H132 H 0.6462 0.7488 0.2493 0.044 Uiso 1 1 calc R U . . .
C133 C 0.6462(4) 0.6885(8) 0.3218(5) 0.044(3) Uani 1 1 d . . . . .
H133 H 0.6239 0.7255 0.3285 0.053 Uiso 1 1 calc R U . . .
C134 C 0.6667(4) 0.6203(9) 0.3573(5) 0.047(3) Uani 1 1 d . . . . .
H134 H 0.6584 0.6097 0.3887 0.057 Uiso 1 1 calc R U . . .
C135 C 0.6999(3) 0.5663(8) 0.3468(4) 0.034(2) Uani 1 1 d . . . . .
H135 H 0.7140 0.5207 0.3722 0.041 Uiso 1 1 calc R U . . .
C211 C 0.8532(3) 0.2703(8) 0.4234(4) 0.032(2) Uani 1 1 d . . . . .
C212 C 0.8784(4) 0.2860(8) 0.4806(4) 0.035(3) Uani 1 1 d . . . . .
H212 H 0.8731 0.3382 0.4975 0.042 Uiso 1 1 calc R U . . .
C213 C 0.9111(4) 0.2247(10) 0.5119(5) 0.050(3) Uani 1 1 d . . . . .
H213 H 0.9274 0.2354 0.5501 0.061 Uiso 1 1 calc R U . . .
C214 C 0.9202(5) 0.1478(12) 0.4879(5) 0.074(5) Uani 1 1 d . . . . .
H214 H 0.9428 0.1069 0.5092 0.089 Uiso 1 1 calc R U . . .
C215 C 0.8955(7) 0.1324(13) 0.4323(7) 0.096(6) Uani 1 1 d . . . . .
H215 H 0.9015 0.0807 0.4155 0.115 Uiso 1 1 calc R U . . .
C216 C 0.8612(6) 0.1928(11) 0.4000(6) 0.072(4) Uani 1 1 d . . . . .
H216 H 0.8439 0.1801 0.3623 0.086 Uiso 1 1 calc R U . . .
C221 C 0.7848(3) 0.4018(8) 0.4261(4) 0.032(2) Uani 1 1 d . . . . .
C222 C 0.7464(4) 0.3547(9) 0.4317(4) 0.041(3) Uani 1 1 d . . . . .
H222 H 0.7373 0.2997 0.4139 0.049 Uiso 1 1 calc R U . . .
C223 C 0.7222(5) 0.3909(11) 0.4642(5) 0.060(4) Uani 1 1 d . . . . .
H223 H 0.6956 0.3617 0.4662 0.072 Uiso 1 1 calc R U . . .
C224 C 0.7370(5) 0.4677(12) 0.4926(6) 0.063(4) Uani 1 1 d . . . . .
H224 H 0.7207 0.4902 0.5146 0.076 Uiso 1 1 calc R U . . .
C225 C 0.7747(5) 0.5133(10) 0.4901(5) 0.062(4) Uani 1 1 d . . . . .
H225 H 0.7843 0.5662 0.5104 0.075 Uiso 1 1 calc R U . . .
C226 C 0.7996(4) 0.4802(9) 0.4565(5) 0.044(3) Uani 1 1 d . . . . .
H226 H 0.8259 0.5110 0.4548 0.053 Uiso 1 1 calc R U . . .
C231 C 0.8526(3) 0.4452(7) 0.3741(4) 0.026(2) Uani 1 1 d . . . . .
C232 C 0.9004(3) 0.4492(8) 0.4049(4) 0.035(3) Uani 1 1 d . . . . .
H232 H 0.9149 0.4055 0.4316 0.042 Uiso 1 1 calc R U . . .
C233 C 0.9267(4) 0.5192(9) 0.3954(4) 0.041(3) Uani 1 1 d . . . . .
H233 H 0.9590 0.5232 0.4161 0.049 Uiso 1 1 calc R U . . .
C234 C 0.9053(4) 0.5815(8) 0.3561(5) 0.044(3) Uani 1 1 d . . . . .
H234 H 0.9226 0.6290 0.3496 0.053 Uiso 1 1 calc R U . . .
C235 C 0.8572(4) 0.5737(7) 0.3255(4) 0.033(2) Uani 1 1 d . . . . .
H235 H 0.8428 0.6162 0.2978 0.040 Uiso 1 1 calc R U . . .
C311 C 0.7328(5) 0.0862(8) 0.3076(5) 0.0489(13) Uani 1 1 d . U . . .
C312 C 0.7523(5) 0.0022(8) 0.3151(5) 0.0502(13) Uani 1 1 d . U . . .
H312 H 0.7685 -0.0173 0.2921 0.060 Uiso 1 1 calc R U . . .
C313 C 0.7481(5) -0.0553(9) 0.3573(5) 0.0511(13) Uani 1 1 d . U . . .
H313 H 0.7615 -0.1123 0.3624 0.061 Uiso 1 1 calc R U . . .
C314 C 0.7236(5) -0.0254(8) 0.3913(5) 0.0504(13) Uani 1 1 d . U . . .
H314 H 0.7208 -0.0623 0.4195 0.061 Uiso 1 1 calc R U . . .
C315 C 0.7043(5) 0.0564(8) 0.3834(5) 0.0492(13) Uani 1 1 d . U . . .
H315 H 0.6871 0.0754 0.4053 0.059 Uiso 1 1 calc R U . . .
C316 C 0.7095(5) 0.1119(8) 0.3435(5) 0.0489(13) Uani 1 1 d . U . . .
H316 H 0.6970 0.1695 0.3401 0.059 Uiso 1 1 calc R U . . .
C321 C 0.7697(4) 0.0994(7) 0.2182(4) 0.033(2) Uani 1 1 d . . . . .
C322 C 0.7450(4) 0.0505(8) 0.1694(5) 0.041(3) Uani 1 1 d . . . . .
H322 H 0.7120 0.0510 0.1548 0.049 Uiso 1 1 calc R U . . .
C323 C 0.7702(5) 0.0014(8) 0.1430(5) 0.051(3) Uani 1 1 d . . . . .
H323 H 0.7537 -0.0327 0.1113 0.061 Uiso 1 1 calc R U . . .
C324 C 0.8185(5) 0.0021(8) 0.1623(5) 0.050(3) Uani 1 1 d . . . . .
H324 H 0.8347 -0.0286 0.1429 0.060 Uiso 1 1 calc R U . . .
C325 C 0.8431(5) 0.0482(8) 0.2107(6) 0.051(3) Uani 1 1 d . . . . .
H325 H 0.8761 0.0469 0.2248 0.061 Uiso 1 1 calc R U . . .
C326 C 0.8192(4) 0.0969(7) 0.2389(5) 0.037(3) Uani 1 1 d . . . . .
H326 H 0.8362 0.1280 0.2716 0.044 Uiso 1 1 calc R U . . .
C331 C 0.6790(3) 0.1698(6) 0.2034(4) 0.028(2) Uani 1 1 d . . . . .
C332 C 0.6426(4) 0.1106(7) 0.2010(4) 0.034(2) Uani 1 1 d . . . . .
H332 H 0.6477 0.0652 0.2276 0.041 Uiso 1 1 calc R U . . .
C333 C 0.5984(4) 0.1206(8) 0.1582(5) 0.047(3) Uani 1 1 d . . . . .
H333 H 0.5738 0.0814 0.1558 0.057 Uiso 1 1 calc R U . . .
C334 C 0.5915(4) 0.1882(9) 0.1199(5) 0.049(3) Uani 1 1 d . . . . .
H334 H 0.5623 0.1962 0.0910 0.059 Uiso 1 1 calc R U . . .
C335 C 0.6294(4) 0.2445(8) 0.1256(5) 0.043(3) Uani 1 1 d . . . . .
H335 H 0.6247 0.2904 0.0993 0.051 Uiso 1 1 calc R U . . .
C411 C 0.7113(4) 0.5686(7) 0.0371(4) 0.033(2) Uani 1 1 d . . . . .
C412 C 0.7562(5) 0.6053(8) 0.0484(5) 0.052(3) Uani 1 1 d . . . . .
H412 H 0.7827 0.5757 0.0730 0.063 Uiso 1 1 calc R U . . .
C413 C 0.7621(5) 0.6854(10) 0.0237(6) 0.069(4) Uani 1 1 d . . . . .
H413 H 0.7923 0.7094 0.0323 0.083 Uiso 1 1 calc R U . . .
C414 C 0.7243(6) 0.7284(9) -0.0125(6) 0.066(4) Uani 1 1 d . . . . .
H414 H 0.7286 0.7820 -0.0288 0.079 Uiso 1 1 calc R U . . .
C415 C 0.6800(6) 0.6938(10) -0.0255(6) 0.062(4) Uani 1 1 d . . . . .
H415 H 0.6539 0.7241 -0.0503 0.074 Uiso 1 1 calc R U . . .
C416 C 0.6736(4) 0.6114(8) -0.0011(5) 0.046(3) Uani 1 1 d . . . . .
H416 H 0.6434 0.5866 -0.0113 0.055 Uiso 1 1 calc R U . . .
C421 C 0.6467(4) 0.4247(7) 0.0326(4) 0.033(2) Uani 1 1 d . . . . .
C422 C 0.6052(4) 0.4574(9) 0.0344(5) 0.046(3) Uani 1 1 d . . . . .
H422 H 0.6064 0.5041 0.0592 0.055 Uiso 1 1 calc R U . . .
C423 C 0.5608(4) 0.4238(11) 0.0006(6) 0.063(4) Uani 1 1 d . . . . .
H423 H 0.5330 0.4462 0.0036 0.076 Uiso 1 1 calc R U . . .
C424 C 0.5593(5) 0.3568(12) -0.0371(6) 0.074(5) Uani 1 1 d . . . . .
H424 H 0.5303 0.3350 -0.0613 0.089 Uiso 1 1 calc R U . . .
C425 C 0.6008(5) 0.3224(11) -0.0388(6) 0.070(4) Uani 1 1 d . . . . .
H425 H 0.5997 0.2759 -0.0637 0.084 Uiso 1 1 calc R U . . .
C426 C 0.6444(4) 0.3553(8) -0.0045(5) 0.049(3) Uani 1 1 d . . . . .
H426 H 0.6722 0.3308 -0.0063 0.059 Uiso 1 1 calc R U . . .
C431 C 0.7451(3) 0.3875(7) 0.0732(4) 0.029(2) Uani 1 1 d . . . . .
C432 C 0.7670(4) 0.3861(7) 0.0330(4) 0.030(2) Uani 1 1 d . . . . .
H432 H 0.7615 0.4322 0.0068 0.035 Uiso 1 1 calc R U . . .
C433 C 0.7966(4) 0.3164(8) 0.0325(5) 0.043(3) Uani 1 1 d . . . . .
H433 H 0.8111 0.3143 0.0058 0.051 Uiso 1 1 calc R U . . .
C434 C 0.8044(4) 0.2492(8) 0.0725(4) 0.037(3) Uani 1 1 d . . . . .
H434 H 0.8250 0.2022 0.0739 0.044 Uiso 1 1 calc R U . . .
C435 C 0.7815(4) 0.2534(7) 0.1096(4) 0.033(2) Uani 1 1 d . . . . .
H435 H 0.7857 0.2064 0.1350 0.040 Uiso 1 1 calc R U . . .
Cl1S Cl 0.5273(4) 0.1290(8) -0.0223(5) 0.133(2) Uani 0.6 1 d D U P . .
Cl2S Cl 0.6291(3) 0.0829(8) 0.0249(4) 0.126(2) Uani 0.6 1 d D U P . .
C1S C 0.5704(4) 0.0503(15) 0.0125(15) 0.130(2) Uani 0.6 1 d D U P . .
H1SA H 0.5639 -0.0044 -0.0096 0.155 Uiso 0.6 1 calc R U P . .
H1SB H 0.5674 0.0365 0.0485 0.155 Uiso 0.6 1 calc R U P . .
Cl3S Cl 0.8467(7) 0.7816(16) -0.0435(8) 0.172(5) Uani 0.4 1 d D U P . .
Cl4S Cl 0.9382(7) 0.7171(16) -0.0332(8) 0.176(5) Uani 0.4 1 d D U P . .
C2S C 0.8882(13) 0.695(3) -0.016(3) 0.174(5) Uani 0.4 1 d D U P . .
H2SA H 0.8970 0.6925 0.0250 0.209 Uiso 0.4 1 calc R U P . .
H2SB H 0.8744 0.6378 -0.0313 0.209 Uiso 0.4 1 calc R U P . .
P5 P 0.45500(11) 0.1557(3) 0.10643(14) 0.0546(9) Uani 1 1 d . . . . .
F13 F 0.5011(3) 0.1934(7) 0.1519(4) 0.084(3) Uani 1 1 d . . . . .
F14 F 0.4077(3) 0.1200(8) 0.0609(4) 0.103(3) Uani 1 1 d . . . . .
F15 F 0.4255(3) 0.2384(6) 0.1158(4) 0.084(3) Uani 1 1 d . . . . .
F16 F 0.4840(3) 0.0723(7) 0.0979(5) 0.098(3) Uani 1 1 d . . . . .
F17 F 0.4676(3) 0.2081(9) 0.0606(4) 0.105(4) Uani 1 1 d . . . . .
F18 F 0.4420(3) 0.1027(7) 0.1533(4) 0.096(3) Uani 1 1 d . . . . .
P6 P 0.92943(12) 0.4877(3) 0.60126(15) 0.0595(10) Uani 1 1 d . . . . .
F19 F 0.8907(4) 0.5627(7) 0.5915(6) 0.117(4) Uani 1 1 d . . . . .
F20 F 0.9677(4) 0.4125(9) 0.6115(6) 0.145(5) Uani 1 1 d . . . . .
F21 F 0.9348(4) 0.4869(9) 0.6649(4) 0.126(5) Uani 1 1 d . . . . .
F22 F 0.9212(4) 0.4883(8) 0.5368(4) 0.112(4) Uani 1 1 d . . . . .
F23 F 0.8893(3) 0.4127(6) 0.5910(3) 0.082(3) Uani 1 1 d . . . . .
F24 F 0.9694(3) 0.5610(7) 0.6117(4) 0.088(3) Uani 1 1 d . . . . .
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'
Cl Cl 0.3639 0.7018 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C31 Pt1 C11 172.5(4) . . ?
C31 Pt1 P1 96.1(3) . . ?
C11 Pt1 P1 86.5(3) . . ?
C31 Pt1 P4 86.3(3) . . ?
C11 Pt1 P4 97.6(3) . . ?
P1 Pt1 P4 128.58(9) . . ?
C31 Pt1 Cu4 91.6(3) . . ?
C11 Pt1 Cu4 83.1(3) . . ?
P1 Pt1 Cu4 153.83(8) . . ?
P4 Pt1 Cu4 76.76(7) . . ?
C31 Pt1 Cu2 80.9(3) . . ?
C11 Pt1 Cu2 92.9(3) . . ?
P1 Pt1 Cu2 76.11(7) . . ?
P4 Pt1 Cu2 153.54(7) . . ?
Cu4 Pt1 Cu2 80.49(4) . . ?
C31 Pt1 Cu1 128.2(3) . . ?
C11 Pt1 Cu1 44.3(3) . . ?
P1 Pt1 Cu1 99.90(7) . . ?
P4 Pt1 Cu1 118.46(7) . . ?
Cu4 Pt1 Cu1 56.61(4) . . ?
Cu2 Pt1 Cu1 56.34(4) . . ?
C31 Pt1 Cu3 43.1(3) . . ?
C11 Pt1 Cu3 129.6(3) . . ?
P1 Pt1 Cu3 116.86(7) . . ?
P4 Pt1 Cu3 99.54(7) . . ?
Cu4 Pt1 Cu3 55.80(4) . . ?
Cu2 Pt1 Cu3 55.85(4) . . ?
Cu1 Pt1 Cu3 86.26(4) . . ?
C41 Pt2 C21 170.2(4) . . ?
C41 Pt2 P2 86.5(3) . . ?
C21 Pt2 P2 97.6(3) . . ?
C41 Pt2 P3 96.1(3) . . ?
C21 Pt2 P3 87.8(3) . . ?
P2 Pt2 P3 131.94(9) . . ?
C41 Pt2 Cu2 91.9(3) . . ?
C21 Pt2 Cu2 80.6(3) . . ?
P2 Pt2 Cu2 75.27(7) . . ?
P3 Pt2 Cu2 151.94(7) . . ?
C41 Pt2 Cu4 81.1(3) . . ?
C21 Pt2 Cu4 91.2(3) . . ?
P2 Pt2 Cu4 150.93(7) . . ?
P3 Pt2 Cu4 75.80(7) . . ?
Cu2 Pt2 Cu4 78.97(4) . . ?
C41 Pt2 Cu3 43.6(3) . . ?
C21 Pt2 Cu3 126.7(3) . . ?
P2 Pt2 Cu3 98.37(7) . . ?
P3 Pt2 Cu3 116.27(7) . . ?
Cu2 Pt2 Cu3 55.40(4) . . ?
Cu4 Pt2 Cu3 55.14(4) . . ?
C41 Pt2 Cu1 127.6(3) . . ?
C21 Pt2 Cu1 42.7(3) . . ?
P2 Pt2 Cu1 116.66(7) . . ?
P3 Pt2 Cu1 99.37(7) . . ?
Cu2 Pt2 Cu1 55.41(4) . . ?
Cu4 Pt2 Cu1 55.46(4) . . ?
Cu3 Pt2 Cu1 85.11(4) . . ?
C21 Cu1 C11 177.9(4) . . ?
C21 Cu1 C22 34.5(4) . . ?
C11 Cu1 C22 143.3(4) . . ?
C21 Cu1 C12 144.4(4) . . ?
C11 Cu1 C12 33.5(4) . . ?
C22 Cu1 C12 110.0(4) . . ?
C21 Cu1 Cu2 84.8(3) . . ?
C11 Cu1 Cu2 96.4(3) . . ?
C22 Cu1 Cu2 108.9(3) . . ?
C12 Cu1 Cu2 121.4(3) . . ?
C21 Cu1 Cu4 96.2(3) . . ?
C11 Cu1 Cu4 85.7(3) . . ?
C22 Cu1 Cu4 122.3(3) . . ?
C12 Cu1 Cu4 109.3(3) . . ?
Cu2 Cu1 Cu4 83.81(5) . . ?
C21 Cu1 Pt1 137.1(3) . . ?
C11 Cu1 Pt1 44.9(3) . . ?
C22 Cu1 Pt1 168.6(3) . . ?
C12 Cu1 Pt1 78.3(3) . . ?
Cu2 Cu1 Pt1 59.71(4) . . ?
Cu4 Cu1 Pt1 59.32(4) . . ?
C21 Cu1 Pt2 43.8(3) . . ?
C11 Cu1 Pt2 138.4(3) . . ?
C22 Cu1 Pt2 78.2(3) . . ?
C12 Cu1 Pt2 169.2(3) . . ?
Cu2 Cu1 Pt2 59.80(4) . . ?
Cu4 Cu1 Pt2 59.94(4) . . ?
Pt1 Cu1 Pt2 94.63(4) . . ?
N2 Cu2 N1 115.8(3) . . ?
N2 Cu2 Cu3 76.9(2) . . ?
N1 Cu2 Cu3 157.5(2) . . ?
N2 Cu2 Cu1 157.5(2) . . ?
N1 Cu2 Cu1 78.6(2) . . ?
Cu3 Cu2 Cu1 95.97(6) . . ?
N2 Cu2 Pt1 128.2(2) . . ?
N1 Cu2 Pt1 93.4(2) . . ?
Cu3 Cu2 Pt1 64.88(4) . . ?
Cu1 Cu2 Pt1 63.95(4) . . ?
N2 Cu2 Pt2 93.2(2) . . ?
N1 Cu2 Pt2 129.1(2) . . ?
Cu3 Cu2 Pt2 64.68(4) . . ?
Cu1 Cu2 Pt2 64.78(4) . . ?
Pt1 Cu2 Pt2 100.20(4) . . ?
C31 Cu3 C41 179.9(5) . . ?
C31 Cu3 C42 145.9(4) . . ?
C41 Cu3 C42 34.2(4) . . ?
C31 Cu3 C32 34.3(4) . . ?
C41 Cu3 C32 145.8(4) . . ?
C42 Cu3 C32 111.9(4) . . ?
C31 Cu3 Cu4 94.6(3) . . ?
C41 Cu3 Cu4 85.2(3) . . ?
C42 Cu3 Cu4 107.6(3) . . ?
C32 Cu3 Cu4 120.4(3) . . ?
C31 Cu3 Cu2 83.7(3) . . ?
C41 Cu3 Cu2 96.3(3) . . ?
C42 Cu3 Cu2 123.2(3) . . ?
C32 Cu3 Cu2 107.7(3) . . ?
Cu4 Cu3 Cu2 84.20(5) . . ?
C31 Cu3 Pt1 43.3(3) . . ?
C41 Cu3 Pt1 136.6(3) . . ?
C42 Cu3 Pt1 166.6(3) . . ?
C32 Cu3 Pt1 77.4(3) . . ?
Cu4 Cu3 Pt1 59.03(4) . . ?
Cu2 Cu3 Pt1 59.28(4) . . ?
C31 Cu3 Pt2 136.0(3) . . ?
C41 Cu3 Pt2 43.9(3) . . ?
C42 Cu3 Pt2 78.2(3) . . ?
C32 Cu3 Pt2 167.6(3) . . ?
Cu4 Cu3 Pt2 60.20(4) . . ?
Cu2 Cu3 Pt2 59.92(4) . . ?
Pt1 Cu3 Pt2 94.01(4) . . ?
N3 Cu4 N4 112.0(3) . . ?
N3 Cu4 Cu3 157.3(2) . . ?
N4 Cu4 Cu3 80.1(2) . . ?
N3 Cu4 Cu1 79.8(2) . . ?
N4 Cu4 Cu1 157.5(2) . . ?
Cu3 Cu4 Cu1 96.02(6) . . ?
N3 Cu4 Pt1 129.7(2) . . ?
N4 Cu4 Pt1 94.6(2) . . ?
Cu3 Cu4 Pt1 65.17(4) . . ?
Cu1 Cu4 Pt1 64.07(4) . . ?
N3 Cu4 Pt2 93.8(2) . . ?
N4 Cu4 Pt2 130.4(2) . . ?
Cu3 Cu4 Pt2 64.66(4) . . ?
Cu1 Cu4 Pt2 64.60(4) . . ?
Pt1 Cu4 Pt2 100.33(4) . . ?
C121 P1 C111 103.4(5) . . ?
C121 P1 C131 101.5(5) . . ?
C111 P1 C131 105.2(5) . . ?
C121 P1 Pt1 119.1(3) . . ?
C111 P1 Pt1 115.3(4) . . ?
C131 P1 Pt1 110.7(3) . . ?
C221 P2 C211 103.7(5) . . ?
C221 P2 C231 103.9(5) . . ?
C211 P2 C231 104.5(5) . . ?
C221 P2 Pt2 118.3(3) . . ?
C211 P2 Pt2 114.7(4) . . ?
C231 P2 Pt2 110.4(3) . . ?
C331 P3 C321 102.2(5) . . ?
C331 P3 C311 103.1(5) . . ?
C321 P3 C311 104.1(5) . . ?
C331 P3 Pt2 110.3(3) . . ?
C321 P3 Pt2 121.0(3) . . ?
C311 P3 Pt2 114.1(4) . . ?
C411 P4 C431 107.0(5) . . ?
C411 P4 C421 104.5(5) . . ?
C431 P4 C421 102.0(5) . . ?
C411 P4 Pt1 110.1(3) . . ?
C431 P4 Pt1 110.4(3) . . ?
C421 P4 Pt1 121.8(3) . . ?
F3A F1 F1A 153(3) . . ?
F3A F1 C19 79(2) . . ?
F1A F1 C19 74(2) . . ?
F1 F1A C19 53.8(15) . . ?
F1 F1A F3 107(2) . . ?
C19 F1A F3 61.8(15) . . ?
F2A F2 C19 59(3) . . ?
F2 F2A C19 88(3) . . ?
F2 F2A F3 160(4) . . ?
C19 F2A F3 72.3(19) . . ?
F2A F3 F1A 99(2) . . ?
F2A F3 C19 50.6(14) . . ?
F1A F3 C19 57.0(14) . . ?
F1 F3A C19 54.0(17) . . ?
F5A F4 C29 68.6(7) . . ?
F5A F4 F6A 120.6(10) . . ?
C29 F4 F6A 56.8(6) . . ?
F5 F4A C29 72.1(10) . . ?
F4A F5 C29 79.6(12) . . ?
F4A F5 F5A 134.2(13) . . ?
C29 F5 F5A 54.8(6) . . ?
F4 F5A C29 63.8(6) . . ?
F4 F5A F5 105.5(9) . . ?
C29 F5A F5 50.8(5) . . ?
F6A F6 C29 64.8(7) . . ?
F6 F6A C29 76.5(9) . . ?
F6 F6A F4 135.2(11) . . ?
C29 F6A F4 58.9(6) . . ?
C135 N1 C131 116.7(8) . . ?
C135 N1 Cu2 122.6(7) . . ?
C131 N1 Cu2 120.7(7) . . ?
C235 N2 C231 117.2(8) . . ?
C235 N2 Cu2 122.2(7) . . ?
C231 N2 Cu2 120.3(6) . . ?
C335 N3 C331 118.1(9) . . ?
C335 N3 Cu4 122.0(7) . . ?
C331 N3 Cu4 119.8(6) . . ?
C435 N4 C431 118.7(8) . . ?
C435 N4 Cu4 122.7(7) . . ?
C431 N4 Cu4 118.5(6) . . ?
C12 C11 Cu1 82.0(7) . . ?
C12 C11 Pt1 171.2(9) . . ?
Cu1 C11 Pt1 90.8(4) . . ?
C11 C12 C13 166.3(11) . . ?
C11 C12 Cu1 64.5(6) . . ?
C13 C12 Cu1 129.2(7) . . ?
C14 C13 C18 117.3(10) . . ?
C14 C13 C12 122.2(10) . . ?
C18 C13 C12 120.5(10) . . ?
C13 C14 C15 120.9(13) . . ?
C16 C15 C14 120.4(13) . . ?
C15 C16 C17 119.7(11) . . ?
C15 C16 C19 120.0(13) . . ?
C17 C16 C19 120.2(13) . . ?
C16 C17 C18 121.1(14) . . ?
C17 C18 C13 120.5(13) . . ?
F1 C19 F2A 115.6(17) . . ?
F1 C19 F2 111.2(18) . . ?
F2A C19 F2 32.6(14) . . ?
F1 C19 F1A 51.9(14) . . ?
F2A C19 F1A 107.5(18) . . ?
F2 C19 F1A 132.5(15) . . ?
F1 C19 F3A 47.0(14) . . ?
F2A C19 F3A 105.0(18) . . ?
F2 C19 F3A 79.8(16) . . ?
F1A C19 F3A 98.9(17) . . ?
F1 C19 C16 123.6(19) . . ?
F2A C19 C16 120.5(19) . . ?
F2 C19 C16 113.1(15) . . ?
F1A C19 C16 111.5(15) . . ?
F3A C19 C16 111.0(16) . . ?
F1 C19 F3 104.9(18) . . ?
F2A C19 F3 57.1(15) . . ?
F2 C19 F3 89.6(17) . . ?
F1A C19 F3 61.2(14) . . ?
F3A C19 F3 140.3(13) . . ?
C16 C19 F3 108.4(15) . . ?
C22 C21 Cu1 80.7(6) . . ?
C22 C21 Pt2 172.2(8) . . ?
Cu1 C21 Pt2 93.6(4) . . ?
C21 C22 C23 168.5(10) . . ?
C21 C22 Cu1 64.8(6) . . ?
C23 C22 Cu1 126.6(7) . . ?
C24 C23 C28 116.6(10) . . ?
C24 C23 C22 120.9(10) . . ?
C28 C23 C22 122.5(10) . . ?
C23 C24 C25 120.9(14) . . ?
C26 C25 C24 122.0(14) . . ?
C25 C26 C27 119.2(11) . . ?
C25 C26 C29 120.6(12) . . ?
C27 C26 C29 120.1(12) . . ?
C26 C27 C28 120.2(13) . . ?
C23 C28 C27 120.8(12) . . ?
F6A C29 F5 121.5(13) . . ?
F6A C29 F4 64.3(9) . . ?
F5 C29 F4 112.3(9) . . ?
F6A C29 F4A 110.3(9) . . ?
F5 C29 F4A 28.3(9) . . ?
F4 C29 F4A 134.4(11) . . ?
F6A C29 F5A 108.3(8) . . ?
F5 C29 F5A 74.5(9) . . ?
F4 C29 F5A 47.6(9) . . ?
F4A C29 F5A 102.7(8) . . ?
F6A C29 F6 38.7(8) . . ?
F5 C29 F6 105.4(8) . . ?
F4 C29 F6 103.0(8) . . ?
F4A C29 F6 82.0(10) . . ?
F5A C29 F6 142.4(10) . . ?
F6A C29 C26 117.7(11) . . ?
F5 C29 C26 116.8(11) . . ?
F4 C29 C26 111.2(10) . . ?
F4A C29 C26 110.4(11) . . ?
F5A C29 C26 106.3(10) . . ?
F6 C29 C26 106.8(10) . . ?
C32 C31 Cu3 82.3(7) . . ?
C32 C31 Pt1 173.2(9) . . ?
Cu3 C31 Pt1 93.7(4) . . ?
C31 C32 C33 164.9(11) . . ?
C31 C32 Cu3 63.4(6) . . ?
C33 C32 Cu3 131.2(7) . . ?
C38 C33 C34 118.6(10) . . ?
C38 C33 C32 120.2(10) . . ?
C34 C33 C32 121.2(10) . . ?
C35 C34 C33 119.8(11) . . ?
C36 C35 C34 121.9(11) . . ?
C37 C36 C35 117.8(11) . . ?
C37 C36 C39 119.5(13) . . ?
C35 C36 C39 122.7(12) . . ?
C36 C37 C38 122.1(14) . . ?
C33 C38 C37 119.7(13) . . ?
F9 C39 F8 107.1(16) . . ?
F9 C39 F7 105.9(17) . . ?
F8 C39 F7 106.4(15) . . ?
F9 C39 C36 113.6(14) . . ?
F8 C39 C36 112.1(15) . . ?
F7 C39 C36 111.2(15) . . ?
C42 C41 Cu3 79.7(7) . . ?
C42 C41 Pt2 171.8(9) . . ?
Cu3 C41 Pt2 92.4(4) . . ?
C41 C42 C43 170.6(10) . . ?
C41 C42 Cu3 66.1(6) . . ?
C43 C42 Cu3 123.3(7) . . ?
C44 C43 C48 118.8(9) . . ?
C44 C43 C42 121.3(9) . . ?
C48 C43 C42 119.8(9) . . ?
C45 C44 C43 121.0(11) . . ?
C44 C45 C46 120.3(12) . . ?
C47 C46 C49 117.9(15) . . ?
C47 C46 C45 119.6(10) . . ?
C49 C46 C45 122.5(15) . . ?
C46 C47 C48 121.2(11) . . ?
C47 C48 C43 119.2(10) . . ?
F11 C49 F10 102.5(16) . . ?
F11 C49 C46 124(2) . . ?
F10 C49 C46 115.4(19) . . ?
F11 C49 F12 104.2(16) . . ?
F10 C49 F12 90.7(16) . . ?
C46 C49 F12 114.4(18) . . ?
C112 C111 C116 116.9(12) . . ?
C112 C111 P1 123.3(10) . . ?
C116 C111 P1 119.8(9) . . ?
C111 C112 C113 122.4(14) . . ?
C114 C113 C112 118.9(15) . . ?
C115 C114 C113 119.2(13) . . ?
C114 C115 C116 119.2(14) . . ?
C111 C116 C115 123.4(13) . . ?
C122 C121 C126 120.4(12) . . ?
C122 C121 P1 123.1(10) . . ?
C126 C121 P1 116.4(10) . . ?
C123 C122 C121 121.0(14) . . ?
C124 C123 C122 119.7(16) . . ?
C123 C124 C125 122.8(15) . . ?
C124 C125 C126 118.7(15) . . ?
C121 C126 C125 117.5(14) . . ?
N1 C131 C132 123.3(10) . . ?
N1 C131 P1 113.2(7) . . ?
C132 C131 P1 123.5(9) . . ?
C131 C132 C133 118.5(11) . . ?
C134 C133 C132 118.4(10) . . ?
C133 C134 C135 119.9(11) . . ?
N1 C135 C134 123.2(11) . . ?
C216 C211 C212 118.8(11) . . ?
C216 C211 P2 120.5(9) . . ?
C212 C211 P2 120.6(9) . . ?
C213 C212 C211 120.1(11) . . ?
C212 C213 C214 121.1(12) . . ?
C215 C214 C213 118.7(13) . . ?
C214 C215 C216 121.2(15) . . ?
C211 C216 C215 120.1(14) . . ?
C226 C221 C222 118.8(10) . . ?
C226 C221 P2 123.3(8) . . ?
C222 C221 P2 118.0(9) . . ?
C223 C222 C221 119.5(12) . . ?
C224 C223 C222 120.2(12) . . ?
C223 C224 C225 122.1(12) . . ?
C224 C225 C226 119.5(13) . . ?
C221 C226 C225 119.7(11) . . ?
N2 C231 C232 122.2(9) . . ?
N2 C231 P2 113.4(7) . . ?
C232 C231 P2 124.4(8) . . ?
C231 C232 C233 119.0(10) . . ?
C234 C233 C232 119.8(10) . . ?
C233 C234 C235 119.1(10) . . ?
N2 C235 C234 122.8(10) . . ?
C312 C311 C316 117.1(11) . . ?
C312 C311 P3 122.3(9) . . ?
C316 C311 P3 120.6(9) . . ?
C311 C312 C313 120.7(11) . . ?
C314 C313 C312 119.1(11) . . ?
C315 C314 C313 120.0(11) . . ?
C314 C315 C316 120.3(11) . . ?
C315 C316 C311 122.8(11) . . ?
C326 C321 C322 118.6(10) . . ?
C326 C321 P3 119.8(8) . . ?
C322 C321 P3 121.6(8) . . ?
C323 C322 C321 119.4(11) . . ?
C324 C323 C322 121.5(12) . . ?
C323 C324 C325 119.6(11) . . ?
C324 C325 C326 120.6(12) . . ?
C325 C326 C321 120.2(11) . . ?
N3 C331 C332 120.9(9) . . ?
N3 C331 P3 114.8(7) . . ?
C332 C331 P3 124.3(8) . . ?
C333 C332 C331 119.0(10) . . ?
C334 C333 C332 119.6(10) . . ?
C333 C334 C335 117.7(10) . . ?
N3 C335 C334 124.7(11) . . ?
C416 C411 C412 117.8(10) . . ?
C416 C411 P4 121.4(9) . . ?
C412 C411 P4 120.5(8) . . ?
C413 C412 C411 121.1(12) . . ?
C414 C413 C412 120.4(13) . . ?
C413 C414 C415 120.3(12) . . ?
C414 C415 C416 119.8(12) . . ?
C411 C416 C415 120.5(12) . . ?
C422 C421 C426 118.0(11) . . ?
C422 C421 P4 120.7(9) . . ?
C426 C421 P4 121.3(8) . . ?
C421 C422 C423 122.7(12) . . ?
C424 C423 C422 118.3(13) . . ?
C425 C424 C423 119.6(12) . . ?
C424 C425 C426 121.5(13) . . ?
C425 C426 C421 119.9(12) . . ?
N4 C431 C432 120.2(9) . . ?
N4 C431 P4 115.5(7) . . ?
C432 C431 P4 124.3(8) . . ?
C433 C432 C431 119.7(10) . . ?
C432 C433 C434 118.8(9) . . ?
C435 C434 C433 118.7(10) . . ?
N4 C435 C434 123.8(10) . . ?
Cl1S C1S Cl2S 115.3(11) . . ?
Cl4S C2S Cl3S 108.2(16) . . ?
F17 P5 F13 88.9(5) . . ?
F17 P5 F14 91.3(6) . . ?
F13 P5 F14 178.4(6) . . ?
F17 P5 F16 89.9(6) . . ?
F13 P5 F16 89.7(5) . . ?
F14 P5 F16 91.9(6) . . ?
F17 P5 F15 91.2(6) . . ?
F13 P5 F15 90.4(5) . . ?
F14 P5 F15 87.9(6) . . ?
F16 P5 F15 178.9(6) . . ?
F17 P5 F18 179.7(7) . . ?
F13 P5 F18 91.1(5) . . ?
F14 P5 F18 88.8(6) . . ?
F16 P5 F18 90.4(6) . . ?
F15 P5 F18 88.5(5) . . ?
F20 P6 F21 91.5(8) . . ?
F20 P6 F22 90.5(8) . . ?
F21 P6 F22 177.0(6) . . ?
F20 P6 F19 179.3(6) . . ?
F21 P6 F19 87.9(7) . . ?
F22 P6 F19 90.0(7) . . ?
F20 P6 F24 89.7(6) . . ?
F21 P6 F24 92.3(5) . . ?
F22 P6 F24 89.8(5) . . ?
F19 P6 F24 90.7(6) . . ?
F20 P6 F23 89.8(6) . . ?
F21 P6 F23 87.5(5) . . ?
F22 P6 F23 90.4(5) . . ?
F19 P6 F23 89.7(5) . . ?
F24 P6 F23 179.5(7) . . ?
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
Pt1 C31 1.977(9) . ?
Pt1 C11 2.008(10) . ?
Pt1 P1 2.325(3) . ?
Pt1 P4 2.327(2) . ?
Pt1 Cu4 2.7203(14) . ?
Pt1 Cu2 2.7338(14) . ?
Pt1 Cu1 2.8445(14) . ?
Pt1 Cu3 2.8794(14) . ?
Pt2 C41 2.007(10) . ?
Pt2 C21 2.007(9) . ?
Pt2 P2 2.327(2) . ?
Pt2 P3 2.330(2) . ?
Pt2 Cu2 2.7668(14) . ?
Pt2 Cu4 2.7749(14) . ?
Pt2 Cu3 2.8902(14) . ?
Pt2 Cu1 2.8961(14) . ?
Cu1 C21 1.967(9) . ?
Cu1 C11 1.986(10) . ?
Cu1 C22 2.146(10) . ?
Cu1 C12 2.179(9) . ?
Cu1 Cu2 2.6353(19) . ?
Cu1 Cu4 2.6407(18) . ?
Cu2 N2 2.061(8) . ?
Cu2 N1 2.069(8) . ?
Cu2 Cu3 2.6317(18) . ?
Cu3 C31 1.971(11) . ?
Cu3 C41 1.995(10) . ?
Cu3 C42 2.147(9) . ?
Cu3 C32 2.184(10) . ?
Cu3 Cu4 2.6241(18) . ?
Cu4 N3 2.060(8) . ?
Cu4 N4 2.093(8) . ?
P1 C121 1.824(11) . ?
P1 C111 1.825(11) . ?
P1 C131 1.839(11) . ?
P2 C221 1.821(10) . ?
P2 C211 1.824(11) . ?
P2 C231 1.832(10) . ?
P3 C331 1.817(10) . ?
P3 C321 1.818(10) . ?
P3 C311 1.819(12) . ?
P4 C411 1.814(11) . ?
P4 C431 1.815(10) . ?
P4 C421 1.821(11) . ?
F1 F3A 1.07(2) . ?
F1 F1A 1.15(3) . ?
F1 C19 1.18(3) . ?
F1A C19 1.41(3) . ?
F1A F3 1.47(3) . ?
F2 F2A 0.75(3) . ?
F2 C19 1.40(3) . ?
F2A C19 1.20(3) . ?
F2A F3 1.30(3) . ?
F3 C19 1.48(3) . ?
F3A C19 1.43(3) . ?
F4 F5A 1.110(19) . ?
F4 C29 1.347(9) . ?
F4 F6A 1.418(17) . ?
F4A F5 0.66(2) . ?
F4A C29 1.370(9) . ?
F5 C29 1.326(9) . ?
F5 F5A 1.649(18) . ?
F5A C29 1.398(9) . ?
F6 F6A 0.911(18) . ?
F6 C29 1.416(9) . ?
F6A C29 1.318(9) . ?
F7 C39 1.35(2) . ?
F8 C39 1.314(18) . ?
F9 C39 1.28(2) . ?
F10 C49 1.37(3) . ?
F11 C49 1.23(2) . ?
F12 C49 1.41(3) . ?
N1 C135 1.345(13) . ?
N1 C131 1.352(13) . ?
N2 C235 1.347(13) . ?
N2 C231 1.358(13) . ?
N3 C335 1.314(13) . ?
N3 C331 1.360(13) . ?
N4 C435 1.327(12) . ?
N4 C431 1.357(13) . ?
C11 C12 1.216(13) . ?
C12 C13 1.462(13) . ?
C13 C14 1.370(17) . ?
C13 C18 1.392(16) . ?
C14 C15 1.372(17) . ?
C15 C16 1.345(18) . ?
C16 C17 1.349(19) . ?
C16 C19 1.464(17) . ?
C17 C18 1.354(18) . ?
C21 C22 1.233(13) . ?
C22 C23 1.439(13) . ?
C23 C24 1.359(16) . ?
C23 C28 1.366(15) . ?
C24 C25 1.388(18) . ?
C25 C26 1.309(19) . ?
C26 C27 1.332(19) . ?
C26 C29 1.512(14) . ?
C27 C28 1.407(17) . ?
C31 C32 1.242(13) . ?
C32 C33 1.463(13) . ?
C33 C38 1.368(16) . ?
C33 C34 1.387(15) . ?
C34 C35 1.366(16) . ?
C35 C36 1.360(18) . ?
C36 C37 1.36(2) . ?
C36 C39 1.51(2) . ?
C37 C38 1.376(18) . ?
C41 C42 1.228(13) . ?
C42 C43 1.441(13) . ?
C43 C44 1.388(15) . ?
C43 C48 1.415(14) . ?
C44 C45 1.361(15) . ?
C45 C46 1.391(17) . ?
C46 C47 1.371(17) . ?
C46 C49 1.380(19) . ?
C47 C48 1.378(15) . ?
C111 C112 1.343(16) . ?
C111 C116 1.343(17) . ?
C112 C113 1.40(2) . ?
C113 C114 1.37(2) . ?
C114 C115 1.36(2) . ?
C115 C116 1.373(18) . ?
C121 C122 1.373(18) . ?
C121 C126 1.390(18) . ?
C122 C123 1.373(18) . ?
C123 C124 1.32(2) . ?
C124 C125 1.38(2) . ?
C125 C126 1.43(2) . ?
C131 C132 1.379(14) . ?
C132 C133 1.408(16) . ?
C133 C134 1.353(17) . ?
C134 C135 1.384(15) . ?
C211 C216 1.360(17) . ?
C211 C212 1.397(14) . ?
C212 C213 1.370(16) . ?
C213 C214 1.37(2) . ?
C214 C215 1.36(2) . ?
C215 C216 1.395(19) . ?
C221 C226 1.384(16) . ?
C221 C222 1.403(15) . ?
C222 C223 1.391(16) . ?
C223 C224 1.34(2) . ?
C224 C225 1.35(2) . ?
C225 C226 1.411(16) . ?
C231 C232 1.374(13) . ?
C232 C233 1.383(15) . ?
C233 C234 1.347(16) . ?
C234 C235 1.383(15) . ?
C311 C312 1.369(17) . ?
C311 C316 1.387(15) . ?
C312 C313 1.413(16) . ?
C313 C314 1.393(16) . ?
C314 C315 1.336(17) . ?
C315 C316 1.362(16) . ?
C321 C326 1.392(15) . ?
C321 C322 1.401(15) . ?
C322 C323 1.389(15) . ?
C323 C324 1.360(18) . ?
C324 C325 1.370(18) . ?
C325 C326 1.389(15) . ?
C331 C332 1.394(14) . ?
C332 C333 1.393(15) . ?
C333 C334 1.363(16) . ?
C334 C335 1.385(16) . ?
C411 C416 1.362(15) . ?
C411 C412 1.392(16) . ?
C412 C413 1.390(17) . ?
C413 C414 1.34(2) . ?
C414 C415 1.36(2) . ?
C415 C416 1.420(17) . ?
C421 C422 1.360(15) . ?
C421 C426 1.385(15) . ?
C422 C423 1.399(16) . ?
C423 C424 1.37(2) . ?
C424 C425 1.37(2) . ?
C425 C426 1.381(17) . ?
C431 C432 1.398(13) . ?
C432 C433 1.373(15) . ?
C433 C434 1.385(16) . ?
C434 C435 1.353(14) . ?
Cl1S C1S 1.740(10) . ?
Cl2S C1S 1.755(10) . ?
Cl3S C2S 1.760(10) . ?
Cl4S C2S 1.750(10) . ?
P5 F17 1.557(9) . ?
P5 F13 1.560(8) . ?
P5 F14 1.572(9) . ?
P5 F16 1.579(10) . ?
P5 F15 1.587(10) . ?
P5 F18 1.590(9) . ?
P6 F20 1.562(12) . ?
P6 F21 1.565(9) . ?
P6 F22 1.565(9) . ?
P6 F19 1.572(12) . ?
P6 F24 1.578(9) . ?
P6 F23 1.599(8) . ?
