#------------------------------------------------------------------------------
#$Date: 2020-10-06 10:37:03 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257398 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/79/1557994.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_1557994
loop_
_publ_author_name
'Deolka, Shubham'
'Rivada-Wheelaghan, Orestes'
'Aristizábal, Sandra L.'
'Fayzullin, Robert R.'
'Pal, Shrinwantu'
'Nozaki, Kyoko'
'Khaskin, Eugene'
'Khusnutdinova, Julia R.'
_publ_section_title
;
 Metal--metal cooperative bond activation by heterobimetallic alkyl, aryl,
 and acetylide PtII/CuI complexes
;
_journal_issue                   21
_journal_name_full               'Chemical Science'
_journal_page_first              5494
_journal_page_last               5502
_journal_paper_doi               10.1039/D0SC00646G
_journal_volume                  11
_journal_year                    2020
_chemical_formula_moiety
'C33 H39 Cu F6 N4 O P Pt 1+, C32 H12 B F24 1-'
_chemical_formula_sum            'C65 H51 B Cu F30 N4 O P Pt'
_chemical_formula_weight         1774.51
_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-2018/3
_audit_update_record
;
2020-01-02 deposited with the CCDC.	2020-04-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.4400(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.7797(2)
_cell_length_b                   19.37993(18)
_cell_length_c                   17.2379(2)
_cell_measurement_reflns_used    66002
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      32.3130
_cell_measurement_theta_min      2.2890
_cell_volume                     6691.33(13)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics
;
WinGX (Farrugia, 2012); Olex2 (Dolomanov et al., 2009);
ORTEP-3 (Farrugia, 2012); PLATON (Spek, 2009)
;
_computing_publication_material  'enCIFer (Allen, 2004)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2015)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa dual offset/far'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0836
_diffrn_reflns_av_unetI/netI     0.0407
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            149456
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.050
_diffrn_reflns_theta_min         2.033
_diffrn_source                   'microfocus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    2.560
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.800
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018).
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model. Empirical absorption correction using
spherical harmonics, frame scaling and detector area scaling,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.761
_exptl_crystal_description       prism
_exptl_crystal_F_000             3496
_exptl_crystal_recrystallization_method
'vapor diffusion of pentane into a THF solution at -30 °C'
_exptl_crystal_size_max          0.102
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.044
_refine_diff_density_max         3.858
_refine_diff_density_min         -3.456
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     995
_refine_ls_number_reflns         19569
_refine_ls_number_restraints     156
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0379
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0547P)²+10.9942P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.1074
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15814
_reflns_number_total             19569
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc00646g3.cif
_cod_data_source_block           jk607
_cod_depositor_comments
;Adding full bibliography for 1557987--1557994.cif.

 Adding full bibliography for 1557987--1557994.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1557994
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.780
_shelx_estimated_absorpt_t_max   0.896
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 0.75576(2) 0.24598(2) 0.53355(2) 0.01766(4) Uani 1 1 d . . . . .
Cu1 Cu 0.68289(2) 0.32535(2) 0.61397(2) 0.02138(8) Uani 1 1 d . . . . .
P1 P 0.85706(3) 0.19728(4) 0.56108(5) 0.01811(14) Uani 1 1 d . . . . .
O1 O 0.84665(10) 0.12916(10) 0.61725(12) 0.0201(4) Uani 1 1 d . . . . .
N11 N 0.67037(13) 0.24135(12) 0.67954(16) 0.0204(5) Uani 1 1 d . . . . .
N12 N 0.75248(11) 0.18156(11) 0.63764(14) 0.0174(4) Uani 1 1 d . . . . .
N2 N 0.61463(13) 0.36839(13) 0.68620(16) 0.0254(5) Uani 1 1 d . . . . .
N3 N 0.73423(13) 0.41052(13) 0.65728(17) 0.0266(5) Uani 1 1 d . . . . .
C1 C 0.76428(17) 0.30144(19) 0.4360(2) 0.0322(7) Uani 1 1 d . . . . .
H1A H 0.733727 0.282627 0.387110 0.048 Uiso 1 1 calc R U . . .
H1B H 0.810252 0.298488 0.431530 0.048 Uiso 1 1 calc R U . . .
H1C H 0.752955 0.349808 0.442424 0.048 Uiso 1 1 calc R U . . .
C01 C 0.65554(13) 0.27462(15) 0.50248(17) 0.0198(5) Uani 1 1 d . . . . .
C02 C 0.63034(14) 0.34079(15) 0.47747(18) 0.0213(5) Uani 1 1 d . . . . .
H02 H 0.660567 0.377120 0.475525 0.026 Uiso 1 1 calc R U . . .
C03 C 0.56118(15) 0.35418(15) 0.45528(18) 0.0226(6) Uani 1 1 d . . . . .
C04 C 0.51568(15) 0.30358(16) 0.4581(2) 0.0264(6) Uani 1 1 d . . . . .
H04 H 0.469223 0.313406 0.444143 0.032 Uiso 1 1 calc R U . . .
C05 C 0.53929(16) 0.23705(16) 0.4819(2) 0.0250(6) Uani 1 1 d . . . . .
C06 C 0.60690(14) 0.22275(15) 0.50339(19) 0.0222(6) Uani 1 1 d . . . . .
H06 H 0.621425 0.177155 0.519220 0.027 Uiso 1 1 calc R U . . .
C07 C 0.53689(16) 0.42423(16) 0.4257(2) 0.0270(6) Uani 1 1 d . . . . .
F71 F 0.47931(10) 0.44020(10) 0.44183(13) 0.0368(5) Uani 1 1 d . . . . .
F72 F 0.52606(10) 0.42876(10) 0.34524(12) 0.0324(4) Uani 1 1 d . . . . .
F73 F 0.58065(11) 0.47419(10) 0.45764(14) 0.0387(5) Uani 1 1 d . . . . .
C08 C 0.49101(17) 0.18218(17) 0.4933(2) 0.0346(8) Uani 1 1 d . . . . .
F81 F 0.43104(10) 0.18900(11) 0.44088(16) 0.0459(6) Uani 1 1 d . . . . .
F82 F 0.48094(15) 0.18533(16) 0.56676(17) 0.0629(8) Uani 1 1 d . . . . .
F83 F 0.51237(11) 0.11854(11) 0.48455(18) 0.0517(7) Uani 1 1 d . . . . .
C11 C 0.58248(17) 0.30940(17) 0.7128(2) 0.0298(7) Uani 1 1 d . . . . .
H11A H 0.538002 0.302310 0.674828 0.036 Uiso 1 1 calc R U . . .
H11B H 0.575689 0.319751 0.766355 0.036 Uiso 1 1 calc R U . . .
C12 C 0.62270(16) 0.24332(15) 0.7183(2) 0.0226(6) Uani 1 1 d . . . . .
C13 C 0.60718(15) 0.18678(16) 0.7609(2) 0.0255(6) Uani 1 1 d . . . . .
H13 H 0.571228 0.189222 0.785191 0.031 Uiso 1 1 calc R U . . .
C14 C 0.64456(15) 0.12835(16) 0.76673(19) 0.0242(6) Uani 1 1 d . . . . .
H14 H 0.635592 0.090003 0.796553 0.029 Uiso 1 1 calc R U . . .
C15 C 0.69677(14) 0.12479(14) 0.72834(17) 0.0192(5) Uani 1 1 d . . . . .
C16 C 0.74097(14) 0.06832(15) 0.73593(19) 0.0214(5) Uani 1 1 d . . . . .
H16 H 0.735400 0.028755 0.766028 0.026 Uiso 1 1 calc R U . . .
C17 C 0.79141(14) 0.07117(14) 0.69981(18) 0.0211(5) Uani 1 1 d . . . . .
H17 H 0.823426 0.035121 0.706858 0.025 Uiso 1 1 calc R U . . .
C18 C 0.79524(14) 0.12933(14) 0.65120(17) 0.0191(5) Uani 1 1 d . . . . .
C19 C 0.70630(13) 0.18216(14) 0.68247(17) 0.0188(5) Uani 1 1 d . . . . .
C21 C 0.56651(18) 0.42258(18) 0.6498(2) 0.0340(8) Uani 1 1 d . . . . .
H21A H 0.589585 0.459438 0.628980 0.051 Uiso 1 1 calc R U . . .
H21B H 0.546351 0.441522 0.690533 0.051 Uiso 1 1 calc R U . . .
H21C H 0.531515 0.402880 0.605558 0.051 Uiso 1 1 calc R U . . .
C31 C 0.66818(19) 0.39749(17) 0.7523(2) 0.0311(7) Uani 1 1 d . . . . .
H31A H 0.692960 0.359598 0.785857 0.037 Uiso 1 1 calc R U . . .
H31B H 0.648346 0.426912 0.786857 0.037 Uiso 1 1 calc R U . . .
C32 C 0.71545(19) 0.43969(16) 0.7189(2) 0.0305(7) Uani 1 1 d . . . . .
C33 C 0.7400(2) 0.50362(19) 0.7497(2) 0.0449(10) Uani 1 1 d . . . . .
H33 H 0.726312 0.523515 0.793079 0.054 Uiso 1 1 calc R U . . .
C34 C 0.7844(3) 0.5379(2) 0.7163(3) 0.0539(12) Uani 1 1 d . . . . .
H34 H 0.801535 0.581631 0.736550 0.065 Uiso 1 1 calc R U . . .
C35 C 0.8036(2) 0.50823(19) 0.6537(3) 0.0434(9) Uani 1 1 d . . . . .
H35 H 0.834235 0.531036 0.630098 0.052 Uiso 1 1 calc R U . . .
C36 C 0.77742(17) 0.44425(17) 0.6254(2) 0.0334(7) Uani 1 1 d . . . . .
H36 H 0.790580 0.423672 0.582027 0.040 Uiso 1 1 calc R U . . .
C41 C 0.92661(15) 0.24435(15) 0.6309(2) 0.0225(6) Uani 1 1 d . . . . .
C42 C 0.90234(17) 0.26102(17) 0.7060(2) 0.0269(6) Uani 1 1 d . . . . .
H42A H 0.859675 0.285652 0.689632 0.040 Uiso 1 1 calc R U . . .
H42B H 0.935494 0.290000 0.742839 0.040 Uiso 1 1 calc R U . . .
H42C H 0.896449 0.218000 0.733185 0.040 Uiso 1 1 calc R U . . .
C43 C 0.93654(18) 0.31307(17) 0.5901(2) 0.0326(7) Uani 1 1 d . . . . .
H43A H 0.952432 0.303470 0.542499 0.049 Uiso 1 1 calc R U . . .
H43B H 0.969523 0.341408 0.628017 0.049 Uiso 1 1 calc R U . . .
H43C H 0.893975 0.337888 0.573818 0.049 Uiso 1 1 calc R U . . .
C44 C 0.99210(15) 0.20425(19) 0.6575(2) 0.0320(7) Uani 1 1 d . . . . .
H44A H 0.984194 0.160215 0.681378 0.048 Uiso 1 1 calc R U . . .
H44B H 1.024751 0.231310 0.697443 0.048 Uiso 1 1 calc R U . . .
H44C H 1.009373 0.195498 0.610786 0.048 Uiso 1 1 calc R U . . .
C51 C 0.88294(15) 0.14811(16) 0.48148(19) 0.0245(6) Uani 1 1 d . . . . .
C52 C 0.92613(18) 0.08437(17) 0.5142(2) 0.0316(7) Uani 1 1 d . . . . .
H52A H 0.966986 0.099090 0.553804 0.047 Uiso 1 1 calc R U . . .
H52B H 0.937851 0.060538 0.469659 0.047 Uiso 1 1 calc R U . . .
H52C H 0.900986 0.052985 0.539755 0.047 Uiso 1 1 calc R U . . .
C53 C 0.92074(16) 0.19552(18) 0.4366(2) 0.0285(6) Uani 1 1 d . . . . .
H53A H 0.894631 0.237534 0.419272 0.043 Uiso 1 1 calc R U . . .
H53B H 0.927371 0.171300 0.389446 0.043 Uiso 1 1 calc R U . . .
H53C H 0.964217 0.207828 0.472682 0.043 Uiso 1 1 calc R U . . .
C54 C 0.81831(18) 0.1231(2) 0.4224(2) 0.0353(8) Uani 1 1 d . . . . .
H54A H 0.794246 0.092725 0.450493 0.053 Uiso 1 1 calc R U . . .
H54B H 0.829118 0.097638 0.378339 0.053 Uiso 1 1 calc R U . . .
H54C H 0.790247 0.162886 0.400473 0.053 Uiso 1 1 calc R U . . .
B1 B 0.77838(15) 0.67101(15) 0.20565(19) 0.0165(5) Uani 1 1 d . . . . .
C011 C 0.76198(13) 0.72640(14) 0.26994(17) 0.0171(5) Uani 1 1 d . . . . .
C012 C 0.81223(15) 0.75498(13) 0.33293(18) 0.0173(5) Uani 1 1 d . . . . .
H012 H 0.856079 0.736411 0.344620 0.021 Uiso 1 1 calc R U . . .
C013 C 0.79926(14) 0.81003(14) 0.37874(17) 0.0185(5) Uani 1 1 d . . . . .
C014 C 0.73554(14) 0.83745(14) 0.36565(19) 0.0226(6) Uani 1 1 d . . . . .
H014 H 0.726519 0.873764 0.398262 0.027 Uiso 1 1 calc R U . . .
C015 C 0.68523(14) 0.80986(15) 0.3030(2) 0.0235(6) Uani 1 1 d . . . . .
C016 C 0.69820(15) 0.75650(14) 0.2556(2) 0.0213(6) Uani 1 1 d . . . . .
H016 H 0.663118 0.739844 0.212350 0.026 Uiso 1 1 calc R U . . .
C017 C 0.85546(15) 0.84498(15) 0.43843(18) 0.0213(5) Uani 1 1 d . . . . .
F171 F 0.83627(10) 0.87768(11) 0.49696(12) 0.0360(5) Uani 1 1 d . . . . .
F172 F 0.88513(10) 0.89323(10) 0.40282(12) 0.0310(4) Uani 1 1 d . . . . .
F173 F 0.90457(9) 0.80144(9) 0.47500(11) 0.0272(4) Uani 1 1 d . . . . .
C018 C 0.61642(17) 0.84059(19) 0.2825(3) 0.0380(8) Uani 1 1 d D U . . .
F181 F 0.60563(16) 0.8843(3) 0.3347(3) 0.0574(14) Uani 0.796(12) 1 d D U P A 1
F182 F 0.5691(3) 0.7921(3) 0.2732(4) 0.0499(13) Uani 0.796(12) 1 d D U P A 1
F183 F 0.6036(2) 0.8736(3) 0.2106(3) 0.0655(14) Uani 0.796(12) 1 d D U P A 1
F184 F 0.6040(9) 0.8563(12) 0.3544(8) 0.0655(14) Uani 0.204(12) 1 d D U P A 2
F185 F 0.5687(10) 0.8020(11) 0.2401(14) 0.055(5) Uani 0.204(12) 1 d D U P A 2
F186 F 0.6139(7) 0.9029(7) 0.2512(14) 0.060(4) Uani 0.204(12) 1 d D U P A 2
C021 C 0.79089(13) 0.72347(14) 0.13642(17) 0.0172(5) Uani 1 1 d . . . . .
C022 C 0.73680(15) 0.75027(13) 0.07723(18) 0.0190(5) Uani 1 1 d . . . . .
H022 H 0.693626 0.731416 0.071778 0.023 Uiso 1 1 calc R U . . .
C023 C 0.74417(15) 0.80363(15) 0.02610(17) 0.0217(6) Uani 1 1 d . . . . .
C024 C 0.80665(15) 0.83058(14) 0.02937(18) 0.0226(6) Uani 1 1 d . . . . .
H024 H 0.812002 0.866054 -0.006437 0.027 Uiso 1 1 calc R U . . .
C025 C 0.86133(14) 0.80390(14) 0.08691(18) 0.0196(5) Uani 1 1 d . . . . .
C026 C 0.85343(15) 0.75297(13) 0.14022(18) 0.0173(5) Uani 1 1 d . . . . .
H026 H 0.891440 0.737599 0.180492 0.021 Uiso 1 1 calc R U . . .
C027 C 0.68299(17) 0.83463(18) -0.0300(2) 0.0293(7) Uani 1 1 d . . . . .
F271 F 0.69647(12) 0.87237(16) -0.08768(15) 0.0579(7) Uani 1 1 d . . . . .
F272 F 0.65005(13) 0.87481(15) 0.00851(15) 0.0593(7) Uani 1 1 d . . . . .
F273 F 0.63900(13) 0.78729(14) -0.06691(17) 0.0600(7) Uani 1 1 d . . . . .
C028 C 0.92936(16) 0.83229(15) 0.0917(2) 0.0261(6) Uani 1 1 d . . . . .
F281 F 0.93889(10) 0.84479(11) 0.01891(13) 0.0367(5) Uani 1 1 d . . . . .
F282 F 0.97846(9) 0.79030(11) 0.13004(14) 0.0373(5) Uani 1 1 d . . . . .
F283 F 0.94003(10) 0.89311(10) 0.13150(14) 0.0382(5) Uani 1 1 d . . . . .
C031 C 0.84087(13) 0.62034(13) 0.24736(17) 0.0180(5) Uani 1 1 d . . . . .
C032 C 0.89222(14) 0.60186(14) 0.21250(18) 0.0195(5) Uani 1 1 d . . . . .
H032 H 0.893786 0.622989 0.163301 0.023 Uiso 1 1 calc R U . . .
C033 C 0.94115(14) 0.55343(14) 0.24768(19) 0.0220(6) Uani 1 1 d . . . . .
C034 C 0.93966(15) 0.51956(15) 0.31774(19) 0.0247(6) Uani 1 1 d . . . . .
H034 H 0.972945 0.486638 0.341532 0.030 Uiso 1 1 calc R U . . .
C035 C 0.88813(16) 0.53495(14) 0.35253(18) 0.0237(6) Uani 1 1 d . . . . .
C036 C 0.84066(15) 0.58509(14) 0.31870(18) 0.0205(5) Uani 1 1 d . . . . .
H036 H 0.806994 0.595799 0.344795 0.025 Uiso 1 1 calc R U . . .
C037 C 0.99664(16) 0.53818(16) 0.2093(2) 0.0300(7) Uani 1 1 d . . . . .
F371 F 1.05245(12) 0.57204(16) 0.2442(2) 0.0719(10) Uani 1 1 d . . . . .
F372 F 0.98223(13) 0.55569(14) 0.13171(16) 0.0544(7) Uani 1 1 d . . . . .
F373 F 1.01245(12) 0.47146(10) 0.21179(15) 0.0442(6) Uani 1 1 d . . . . .
C038 C 0.8826(2) 0.49365(17) 0.4242(2) 0.0338(7) Uani 1 1 d D U . . .
F381 F 0.8810(7) 0.4271(4) 0.4084(9) 0.042(2) Uani 0.60(2) 1 d D U P B 1
F382 F 0.8346(6) 0.5116(5) 0.4534(6) 0.055(3) Uani 0.60(2) 1 d D U P B 1
F383 F 0.9411(6) 0.5017(4) 0.4861(4) 0.057(2) Uani 0.60(2) 1 d D U P B 1
F384 F 0.9006(10) 0.4282(6) 0.4239(13) 0.043(3) Uani 0.40(2) 1 d D U P B 2
F385 F 0.8141(4) 0.4870(7) 0.4254(8) 0.046(2) Uani 0.40(2) 1 d D U P B 2
F386 F 0.9088(8) 0.5196(5) 0.4948(4) 0.044(3) Uani 0.40(2) 1 d D U P B 2
C041 C 0.71626(13) 0.61837(14) 0.16744(17) 0.0186(5) Uani 1 1 d . . . . .
C042 C 0.71356(14) 0.58238(14) 0.09600(18) 0.0195(5) Uani 1 1 d . . . . .
H042 H 0.747048 0.590813 0.068891 0.023 Uiso 1 1 calc R U . . .
C043 C 0.66346(14) 0.53469(14) 0.06345(17) 0.0191(5) Uani 1 1 d . . . . .
C044 C 0.61286(14) 0.52153(14) 0.10051(19) 0.0223(6) Uani 1 1 d . . . . .
H044 H 0.578009 0.489859 0.077928 0.027 Uiso 1 1 calc R U . . .
C045 C 0.61502(14) 0.55607(15) 0.17119(19) 0.0223(6) Uani 1 1 d . . . . .
C046 C 0.66600(14) 0.60258(14) 0.20471(18) 0.0205(5) Uani 1 1 d . . . . .
H046 H 0.666616 0.624205 0.254360 0.025 Uiso 1 1 calc R U . . .
C047 C 0.66411(15) 0.49348(15) -0.00966(18) 0.0232(6) Uani 1 1 d . . . . .
F471 F 0.68271(11) 0.42749(9) 0.00898(12) 0.0315(4) Uani 1 1 d . . . . .
F472 F 0.70732(11) 0.51763(9) -0.04887(12) 0.0317(4) Uani 1 1 d . . . . .
F473 F 0.60457(11) 0.49035(12) -0.06306(13) 0.0404(5) Uani 1 1 d . . . . .
C048 C 0.56021(16) 0.54679(17) 0.2123(2) 0.0296(7) Uani 1 1 d . . . . .
F481 F 0.52390(10) 0.49003(12) 0.18905(13) 0.0380(5) Uani 1 1 d . . . . .
F482 F 0.51676(13) 0.59988(13) 0.19678(18) 0.0577(7) Uani 1 1 d . . . . .
F483 F 0.58405(11) 0.54317(13) 0.29216(13) 0.0438(6) 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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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
C1 Pt1 C01 87.02(12) . . ?
C1 Pt1 N12 175.90(11) . . ?
C01 Pt1 N12 96.60(10) . . ?
C1 Pt1 P1 96.52(9) . . ?
C01 Pt1 P1 170.37(8) . . ?
N12 Pt1 P1 79.61(6) . . ?
C1 Pt1 Cu1 107.35(10) . . ?
C01 Pt1 Cu1 48.66(8) . . ?
N12 Pt1 Cu1 76.57(6) . . ?
P1 Pt1 Cu1 137.30(2) . . ?
N3 Cu1 N11 125.93(11) . . ?
N3 Cu1 C01 135.77(12) . . ?
N11 Cu1 C01 95.18(11) . . ?
N3 Cu1 N2 80.89(11) . . ?
N11 Cu1 N2 78.43(10) . . ?
C01 Cu1 N2 127.99(10) . . ?
N3 Cu1 C02 109.30(11) . . ?
N11 Cu1 C02 124.54(11) . . ?
C01 Cu1 C02 36.57(10) . . ?
N2 Cu1 C02 108.15(10) . . ?
N3 Cu1 Pt1 109.66(8) . . ?
N11 Cu1 Pt1 90.09(7) . . ?
C01 Cu1 Pt1 48.19(7) . . ?
N2 Cu1 Pt1 167.76(7) . . ?
C02 Cu1 Pt1 74.84(7) . . ?
O1 P1 C41 102.08(13) . . ?
O1 P1 C51 97.40(12) . . ?
C41 P1 C51 113.68(14) . . ?
O1 P1 Pt1 101.23(7) . . ?
C41 P1 Pt1 117.13(10) . . ?
C51 P1 Pt1 119.91(10) . . ?
C18 O1 P1 119.04(18) . . ?
C12 N11 C19 118.5(2) . . ?
C12 N11 Cu1 118.45(19) . . ?
C19 N11 Cu1 122.9(2) . . ?
C18 N12 C19 116.1(2) . . ?
C18 N12 Pt1 114.32(18) . . ?
C19 N12 Pt1 128.84(18) . . ?
C11 N2 C21 112.2(3) . . ?
C11 N2 C31 111.7(3) . . ?
C21 N2 C31 110.1(3) . . ?
C11 N2 Cu1 106.80(18) . . ?
C21 N2 Cu1 118.6(2) . . ?
C31 N2 Cu1 96.36(19) . . ?
C36 N3 C32 118.9(3) . . ?
C36 N3 Cu1 126.8(2) . . ?
C32 N3 Cu1 113.7(2) . . ?
Pt1 C1 H1A 109.5 . . ?
Pt1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Pt1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C02 C01 C06 115.9(3) . . ?
C02 C01 Pt1 125.9(2) . . ?
C06 C01 Pt1 118.1(2) . . ?
C02 C01 Cu1 80.89(18) . . ?
C06 C01 Cu1 109.8(2) . . ?
Pt1 C01 Cu1 83.16(10) . . ?
C01 C02 C03 121.3(3) . . ?
C01 C02 Cu1 62.54(16) . . ?
C03 C02 Cu1 117.8(2) . . ?
C01 C02 H02 119.3 . . ?
C03 C02 H02 119.3 . . ?
Cu1 C02 H02 89.7 . . ?
C04 C03 C02 121.4(3) . . ?
C04 C03 C07 119.3(3) . . ?
C02 C03 C07 119.2(3) . . ?
C03 C04 C05 118.5(3) . . ?
C03 C04 H04 120.8 . . ?
C05 C04 H04 120.8 . . ?
C06 C05 C04 121.0(3) . . ?
C06 C05 C08 119.1(3) . . ?
C04 C05 C08 119.5(3) . . ?
C05 C06 C01 121.8(3) . . ?
C05 C06 H06 119.1 . . ?
C01 C06 H06 119.1 . . ?
F71 C07 F73 107.1(3) . . ?
F71 C07 F72 106.6(3) . . ?
F73 C07 F72 106.5(3) . . ?
F71 C07 C03 112.4(3) . . ?
F73 C07 C03 112.7(3) . . ?
F72 C07 C03 111.1(3) . . ?
F83 C08 F81 107.1(3) . . ?
F83 C08 F82 106.8(3) . . ?
F81 C08 F82 106.4(3) . . ?
F83 C08 C05 112.6(3) . . ?
F81 C08 C05 112.0(3) . . ?
F82 C08 C05 111.5(3) . . ?
N2 C11 C12 112.9(2) . . ?
N2 C11 H11A 109.0 . . ?
C12 C11 H11A 109.0 . . ?
N2 C11 H11B 109.0 . . ?
C12 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
N11 C12 C13 123.0(3) . . ?
N11 C12 C11 117.5(3) . . ?
C13 C12 C11 119.5(3) . . ?
C14 C13 C12 118.8(3) . . ?
C14 C13 H13 120.6 . . ?
C12 C13 H13 120.6 . . ?
C13 C14 C15 120.0(3) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C19 C15 C16 118.6(3) . . ?
C19 C15 C14 117.6(3) . . ?
C16 C15 C14 123.7(3) . . ?
C17 C16 C15 119.3(3) . . ?
C17 C16 H16 120.4 . . ?
C15 C16 H16 120.4 . . ?
C16 C17 C18 118.4(3) . . ?
C16 C17 H17 120.8 . . ?
C18 C17 H17 120.8 . . ?
N12 C18 O1 119.8(2) . . ?
N12 C18 C17 124.7(3) . . ?
O1 C18 C17 115.5(2) . . ?
N11 C19 N12 116.2(2) . . ?
N11 C19 C15 121.9(3) . . ?
N12 C19 C15 121.9(2) . . ?
N2 C21 H21A 109.5 . . ?
N2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N2 C31 C32 110.3(3) . . ?
N2 C31 H31A 109.6 . . ?
C32 C31 H31A 109.6 . . ?
N2 C31 H31B 109.6 . . ?
C32 C31 H31B 109.6 . . ?
H31A C31 H31B 108.1 . . ?
N3 C32 C33 121.3(4) . . ?
N3 C32 C31 115.4(3) . . ?
C33 C32 C31 123.3(3) . . ?
C34 C33 C32 119.2(4) . . ?
C34 C33 H33 120.4 . . ?
C32 C33 H33 120.4 . . ?
C35 C34 C33 119.6(4) . . ?
C35 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
C34 C35 C36 118.7(4) . . ?
C34 C35 H35 120.7 . . ?
C36 C35 H35 120.7 . . ?
N3 C36 C35 122.3(4) . . ?
N3 C36 H36 118.8 . . ?
C35 C36 H36 118.8 . . ?
C44 C41 C42 108.6(3) . . ?
C44 C41 C43 111.0(3) . . ?
C42 C41 C43 108.3(3) . . ?
C44 C41 P1 115.0(2) . . ?
C42 C41 P1 106.0(2) . . ?
C43 C41 P1 107.7(2) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C54 C51 C52 108.1(3) . . ?
C54 C51 C53 109.1(3) . . ?
C52 C51 C53 109.6(3) . . ?
C54 C51 P1 106.1(2) . . ?
C52 C51 P1 113.2(2) . . ?
C53 C51 P1 110.5(2) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C031 B1 C041 104.6(2) . . ?
C031 B1 C021 115.5(2) . . ?
C041 B1 C021 110.7(2) . . ?
C031 B1 C011 112.3(2) . . ?
C041 B1 C011 113.3(2) . . ?
C021 B1 C011 100.8(2) . . ?
C012 C011 C016 116.3(3) . . ?
C012 C011 B1 122.3(2) . . ?
C016 C011 B1 120.5(2) . . ?
C013 C012 C011 121.5(3) . . ?
C013 C012 H012 119.2 . . ?
C011 C012 H012 119.2 . . ?
C014 C013 C012 121.3(3) . . ?
C014 C013 C017 118.3(2) . . ?
C012 C013 C017 120.1(3) . . ?
C013 C014 C015 117.7(3) . . ?
C013 C014 H014 121.1 . . ?
C015 C014 H014 121.1 . . ?
C016 C015 C014 121.2(3) . . ?
C016 C015 C018 118.6(3) . . ?
C014 C015 C018 120.0(3) . . ?
C015 C016 C011 121.8(3) . . ?
C015 C016 H016 119.1 . . ?
C011 C016 H016 119.1 . . ?
F171 C017 F173 106.6(2) . . ?
F171 C017 F172 106.1(2) . . ?
F173 C017 F172 105.4(2) . . ?
F171 C017 C013 113.4(2) . . ?
F173 C017 C013 113.2(2) . . ?
F172 C017 C013 111.5(2) . . ?
F185 C018 F186 110.9(12) . . ?
F181 C018 F182 106.5(4) . . ?
F181 C018 F183 107.3(4) . . ?
F182 C018 F183 105.2(4) . . ?
F185 C018 F184 109.8(13) . . ?
F186 C018 F184 99.8(10) . . ?
F181 C018 C015 115.2(3) . . ?
F185 C018 C015 116.1(10) . . ?
F186 C018 C015 113.0(7) . . ?
F182 C018 C015 111.9(4) . . ?
F183 C018 C015 110.2(3) . . ?
F184 C018 C015 105.8(7) . . ?
C022 C021 C026 115.8(3) . . ?
C022 C021 B1 120.5(2) . . ?
C026 C021 B1 122.8(2) . . ?
C023 C022 C021 122.3(3) . . ?
C023 C022 H022 118.9 . . ?
C021 C022 H022 118.9 . . ?
C024 C023 C022 120.9(3) . . ?
C024 C023 C027 119.9(3) . . ?
C022 C023 C027 119.2(3) . . ?
C023 C024 C025 117.8(3) . . ?
C023 C024 H024 121.1 . . ?
C025 C024 H024 121.1 . . ?
C026 C025 C024 121.2(3) . . ?
C026 C025 C028 120.0(3) . . ?
C024 C025 C028 118.8(3) . . ?
C025 C026 C021 122.0(3) . . ?
C025 C026 H026 119.0 . . ?
C021 C026 H026 119.0 . . ?
F271 C027 F272 107.0(3) . . ?
F271 C027 F273 106.1(3) . . ?
F272 C027 F273 105.3(3) . . ?
F271 C027 C023 113.1(3) . . ?
F272 C027 C023 111.9(3) . . ?
F273 C027 C023 112.8(3) . . ?
F282 C028 F281 106.8(3) . . ?
F282 C028 F283 106.3(3) . . ?
F281 C028 F283 105.8(2) . . ?
F282 C028 C025 112.9(2) . . ?
F281 C028 C025 112.7(3) . . ?
F283 C028 C025 111.9(2) . . ?
C032 C031 C036 115.4(3) . . ?
C032 C031 B1 124.8(2) . . ?
C036 C031 B1 119.3(2) . . ?
C033 C032 C031 122.3(3) . . ?
C033 C032 H032 118.9 . . ?
C031 C032 H032 118.9 . . ?
C034 C033 C032 121.0(3) . . ?
C034 C033 C037 119.3(3) . . ?
C032 C033 C037 119.7(3) . . ?
C033 C034 C035 118.3(3) . . ?
C033 C034 H034 120.9 . . ?
C035 C034 H034 120.9 . . ?
C034 C035 C036 120.5(3) . . ?
C034 C035 C038 118.4(3) . . ?
C036 C035 C038 121.0(3) . . ?
C035 C036 C031 122.4(3) . . ?
C035 C036 H036 118.8 . . ?
C031 C036 H036 118.8 . . ?
F371 C037 F373 106.7(3) . . ?
F371 C037 F372 105.3(3) . . ?
F373 C037 F372 105.5(3) . . ?
F371 C037 C033 112.5(3) . . ?
F373 C037 C033 112.8(3) . . ?
F372 C037 C033 113.4(3) . . ?
F382 C038 F381 111.6(8) . . ?
F386 C038 F384 109.2(9) . . ?
F382 C038 F383 106.2(5) . . ?
F381 C038 F383 103.7(5) . . ?
F386 C038 F385 101.1(5) . . ?
F384 C038 F385 101.3(10) . . ?
F382 C038 C035 114.6(4) . . ?
F386 C038 C035 117.4(4) . . ?
F381 C038 C035 110.8(8) . . ?
F384 C038 C035 115.2(11) . . ?
F383 C038 C035 109.1(4) . . ?
F385 C038 C035 110.6(4) . . ?
C046 C041 C042 115.7(2) . . ?
C046 C041 B1 123.8(3) . . ?
C042 C041 B1 120.3(2) . . ?
C043 C042 C041 122.3(3) . . ?
C043 C042 H042 118.9 . . ?
C041 C042 H042 118.9 . . ?
C044 C043 C042 120.8(3) . . ?
C044 C043 C047 117.8(3) . . ?
C042 C043 C047 121.3(3) . . ?
C045 C044 C043 117.7(3) . . ?
C045 C044 H044 121.1 . . ?
C043 C044 H044 121.1 . . ?
C044 C045 C046 121.5(3) . . ?
C044 C045 C048 120.5(3) . . ?
C046 C045 C048 118.0(3) . . ?
C045 C046 C041 122.0(3) . . ?
C045 C046 H046 119.0 . . ?
C041 C046 H046 119.0 . . ?
F473 C047 F472 106.9(3) . . ?
F473 C047 F471 106.0(2) . . ?
F472 C047 F471 105.2(2) . . ?
F473 C047 C043 113.0(3) . . ?
F472 C047 C043 113.3(2) . . ?
F471 C047 C043 111.8(2) . . ?
F481 C048 F483 106.9(3) . . ?
F481 C048 F482 105.9(3) . . ?
F483 C048 F482 106.8(3) . . ?
F481 C048 C045 113.3(3) . . ?
F483 C048 C045 111.9(3) . . ?
F482 C048 C045 111.5(3) . . ?
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 C1 2.043(3) . ?
Pt1 C01 2.083(3) . ?
Pt1 N12 2.202(2) . ?
Pt1 P1 2.2396(7) . ?
Pt1 Cu1 2.7745(4) . ?
Cu1 N3 1.999(3) . ?
Cu1 N11 2.038(2) . ?
Cu1 C01 2.098(3) . ?
Cu1 N2 2.280(3) . ?
Cu1 C02 2.335(3) . ?
P1 O1 1.685(2) . ?
P1 C41 1.856(3) . ?
P1 C51 1.864(3) . ?
O1 C18 1.348(3) . ?
N11 C12 1.335(4) . ?
N11 C19 1.362(3) . ?
N12 C18 1.326(3) . ?
N12 C19 1.383(4) . ?
N2 C11 1.459(4) . ?
N2 C21 1.471(4) . ?
N2 C31 1.476(4) . ?
N3 C36 1.340(4) . ?
N3 C32 1.350(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C01 C02 1.409(4) . ?
C01 C06 1.429(4) . ?
C02 C03 1.409(4) . ?
C02 H02 0.9500 . ?
C03 C04 1.372(4) . ?
C03 C07 1.490(4) . ?
C04 C05 1.401(4) . ?
C04 H04 0.9500 . ?
C05 C06 1.382(4) . ?
C05 C08 1.510(5) . ?
C06 H06 0.9500 . ?
C07 F71 1.335(4) . ?
C07 F73 1.342(4) . ?
C07 F72 1.348(4) . ?
C08 F83 1.333(4) . ?
C08 F81 1.337(4) . ?
C08 F82 1.339(5) . ?
C11 C12 1.518(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.403(4) . ?
C13 C14 1.362(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.415(4) . ?
C14 H14 0.9500 . ?
C15 C19 1.408(4) . ?
C15 C16 1.412(4) . ?
C16 C17 1.355(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.419(4) . ?
C17 H17 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C31 C32 1.505(5) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.390(5) . ?
C33 C34 1.381(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.373(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.389(5) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C44 1.528(4) . ?
C41 C42 1.543(4) . ?
C41 C43 1.546(4) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C51 C54 1.532(5) . ?
C51 C52 1.542(4) . ?
C51 C53 1.544(4) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
B1 C031 1.634(4) . ?
B1 C041 1.640(4) . ?
B1 C021 1.640(4) . ?
B1 C011 1.642(4) . ?
C011 C012 1.404(4) . ?
C011 C016 1.408(4) . ?
C012 C013 1.396(4) . ?
C012 H012 0.9500 . ?
C013 C014 1.388(4) . ?
C013 C017 1.497(4) . ?
C014 C015 1.394(4) . ?
C014 H014 0.9500 . ?
C015 C016 1.388(4) . ?
C015 C018 1.502(4) . ?
C016 H016 0.9500 . ?
C017 F171 1.339(3) . ?
C017 F173 1.345(3) . ?
C017 F172 1.354(3) . ?
C018 F181 1.298(5) . ?
C018 F185 1.301(14) . ?
C018 F186 1.319(12) . ?
C018 F182 1.339(5) . ?
C018 F183 1.356(6) . ?
C018 F184 1.365(14) . ?
C021 C022 1.401(4) . ?
C021 C026 1.405(4) . ?
C022 C023 1.393(4) . ?
C022 H022 0.9500 . ?
C023 C024 1.387(4) . ?
C023 C027 1.503(4) . ?
C024 C025 1.394(4) . ?
C024 H024 0.9500 . ?
C025 C026 1.388(4) . ?
C025 C028 1.499(4) . ?
C026 H026 0.9500 . ?
C027 F271 1.323(4) . ?
C027 F272 1.326(4) . ?
C027 F273 1.331(4) . ?
C028 F282 1.334(4) . ?
C028 F281 1.344(4) . ?
C028 F283 1.352(3) . ?
C031 C032 1.403(4) . ?
C031 C036 1.408(4) . ?
C032 C033 1.398(4) . ?
C032 H032 0.9500 . ?
C033 C034 1.382(4) . ?
C033 C037 1.504(4) . ?
C034 C035 1.392(4) . ?
C034 H034 0.9500 . ?
C035 C036 1.397(4) . ?
C035 C038 1.502(4) . ?
C036 H036 0.9500 . ?
C037 F371 1.329(4) . ?
C037 F373 1.332(3) . ?
C037 F372 1.334(4) . ?
C038 F382 1.280(7) . ?
C038 F386 1.295(7) . ?
C038 F381 1.317(8) . ?
C038 F384 1.322(11) . ?
C038 F383 1.396(7) . ?
C038 F385 1.436(8) . ?
C041 C046 1.398(4) . ?
C041 C042 1.403(4) . ?
C042 C043 1.393(4) . ?
C042 H042 0.9500 . ?
C043 C044 1.392(4) . ?
C043 C047 1.495(4) . ?
C044 C045 1.380(4) . ?
C044 H044 0.9500 . ?
C045 C046 1.394(4) . ?
C045 C048 1.503(4) . ?
C046 H046 0.9500 . ?
C047 F473 1.332(4) . ?
C047 F472 1.344(4) . ?
C047 F471 1.350(3) . ?
C048 F481 1.334(4) . ?
C048 F483 1.336(4) . ?
C048 F482 1.348(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
C41 P1 O1 C18 102.5(2) . . . . ?
C51 P1 O1 C18 -141.2(2) . . . . ?
Pt1 P1 O1 C18 -18.7(2) . . . . ?
C06 C01 C02 C03 0.3(4) . . . . ?
Pt1 C01 C02 C03 177.9(2) . . . . ?
Cu1 C01 C02 C03 -107.4(3) . . . . ?
C06 C01 C02 Cu1 107.7(3) . . . . ?
Pt1 C01 C02 Cu1 -74.6(2) . . . . ?
C01 C02 C03 C04 0.8(5) . . . . ?
Cu1 C02 C03 C04 -72.4(3) . . . . ?
C01 C02 C03 C07 -177.2(3) . . . . ?
Cu1 C02 C03 C07 109.6(3) . . . . ?
C02 C03 C04 C05 -1.4(5) . . . . ?
C07 C03 C04 C05 176.6(3) . . . . ?
C03 C04 C05 C06 1.0(5) . . . . ?
C03 C04 C05 C08 174.1(3) . . . . ?
C04 C05 C06 C01 0.1(5) . . . . ?
C08 C05 C06 C01 -173.0(3) . . . . ?
C02 C01 C06 C05 -0.7(4) . . . . ?
Pt1 C01 C06 C05 -178.6(2) . . . . ?
Cu1 C01 C06 C05 88.6(3) . . . . ?
C04 C03 C07 F71 30.9(4) . . . . ?
C02 C03 C07 F71 -151.0(3) . . . . ?
C04 C03 C07 F73 152.0(3) . . . . ?
C02 C03 C07 F73 -29.9(4) . . . . ?
C04 C03 C07 F72 -88.5(4) . . . . ?
C02 C03 C07 F72 89.6(3) . . . . ?
C06 C05 C08 F83 -31.5(5) . . . . ?
C04 C05 C08 F83 155.3(3) . . . . ?
C06 C05 C08 F81 -152.3(3) . . . . ?
C04 C05 C08 F81 34.6(5) . . . . ?
C06 C05 C08 F82 88.6(4) . . . . ?
C04 C05 C08 F82 -84.6(4) . . . . ?
C21 N2 C11 C12 156.5(3) . . . . ?
C31 N2 C11 C12 -79.2(3) . . . . ?
Cu1 N2 C11 C12 24.9(3) . . . . ?
C19 N11 C12 C13 -1.1(5) . . . . ?
Cu1 N11 C12 C13 175.9(2) . . . . ?
C19 N11 C12 C11 -178.9(3) . . . . ?
Cu1 N11 C12 C11 -1.9(4) . . . . ?
N2 C11 C12 N11 -17.5(4) . . . . ?
N2 C11 C12 C13 164.7(3) . . . . ?
N11 C12 C13 C14 3.6(5) . . . . ?
C11 C12 C13 C14 -178.6(3) . . . . ?
C12 C13 C14 C15 -1.7(5) . . . . ?
C13 C14 C15 C19 -2.3(4) . . . . ?
C13 C14 C15 C16 175.3(3) . . . . ?
C19 C15 C16 C17 0.7(4) . . . . ?
C14 C15 C16 C17 -176.9(3) . . . . ?
C15 C16 C17 C18 -4.0(4) . . . . ?
C19 N12 C18 O1 -172.2(2) . . . . ?
Pt1 N12 C18 O1 16.8(3) . . . . ?
C19 N12 C18 C17 8.2(4) . . . . ?
Pt1 N12 C18 C17 -162.9(2) . . . . ?
P1 O1 C18 N12 2.4(4) . . . . ?
P1 O1 C18 C17 -177.9(2) . . . . ?
C16 C17 C18 N12 -0.6(5) . . . . ?
C16 C17 C18 O1 179.8(3) . . . . ?
C12 N11 C19 N12 176.5(3) . . . . ?
Cu1 N11 C19 N12 -0.3(4) . . . . ?
C12 N11 C19 C15 -3.3(4) . . . . ?
Cu1 N11 C19 C15 179.9(2) . . . . ?
C18 N12 C19 N11 168.7(3) . . . . ?
Pt1 N12 C19 N11 -21.8(4) . . . . ?
C18 N12 C19 C15 -11.5(4) . . . . ?
Pt1 N12 C19 C15 158.0(2) . . . . ?
C16 C15 C19 N11 -172.8(3) . . . . ?
C14 C15 C19 N11 4.9(4) . . . . ?
C16 C15 C19 N12 7.4(4) . . . . ?
C14 C15 C19 N12 -174.8(3) . . . . ?
C11 N2 C31 C32 159.9(3) . . . . ?
C21 N2 C31 C32 -74.7(3) . . . . ?
Cu1 N2 C31 C32 48.9(3) . . . . ?
C36 N3 C32 C33 0.0(5) . . . . ?
Cu1 N3 C32 C33 -171.9(3) . . . . ?
C36 N3 C32 C31 -178.6(3) . . . . ?
Cu1 N3 C32 C31 9.5(4) . . . . ?
N2 C31 C32 N3 -45.0(4) . . . . ?
N2 C31 C32 C33 136.5(4) . . . . ?
N3 C32 C33 C34 0.0(6) . . . . ?
C31 C32 C33 C34 178.5(4) . . . . ?
C32 C33 C34 C35 -0.1(7) . . . . ?
C33 C34 C35 C36 0.2(7) . . . . ?
C32 N3 C36 C35 0.0(5) . . . . ?
Cu1 N3 C36 C35 170.8(3) . . . . ?
C34 C35 C36 N3 -0.1(6) . . . . ?
O1 P1 C41 C44 61.8(3) . . . . ?
C51 P1 C41 C44 -42.0(3) . . . . ?
Pt1 P1 C41 C44 171.3(2) . . . . ?
O1 P1 C41 C42 -58.2(2) . . . . ?
C51 P1 C41 C42 -161.9(2) . . . . ?
Pt1 P1 C41 C42 51.3(2) . . . . ?
O1 P1 C41 C43 -173.9(2) . . . . ?
C51 P1 C41 C43 82.3(2) . . . . ?
Pt1 P1 C41 C43 -64.4(2) . . . . ?
O1 P1 C51 C54 82.4(2) . . . . ?
C41 P1 C51 C54 -170.9(2) . . . . ?
Pt1 P1 C51 C54 -25.1(3) . . . . ?
O1 P1 C51 C52 -36.0(2) . . . . ?
C41 P1 C51 C52 70.7(3) . . . . ?
Pt1 P1 C51 C52 -143.57(19) . . . . ?
O1 P1 C51 C53 -159.4(2) . . . . ?
C41 P1 C51 C53 -52.7(3) . . . . ?
Pt1 P1 C51 C53 93.1(2) . . . . ?
C031 B1 C011 C012 34.3(3) . . . . ?
C041 B1 C011 C012 152.5(3) . . . . ?
C021 B1 C011 C012 -89.2(3) . . . . ?
C031 B1 C011 C016 -157.0(2) . . . . ?
C041 B1 C011 C016 -38.9(3) . . . . ?
C021 B1 C011 C016 79.4(3) . . . . ?
C016 C011 C012 C013 0.2(4) . . . . ?
B1 C011 C012 C013 169.3(3) . . . . ?
C011 C012 C013 C014 2.1(4) . . . . ?
C011 C012 C013 C017 -172.4(3) . . . . ?
C012 C013 C014 C015 -2.4(4) . . . . ?
C017 C013 C014 C015 172.2(3) . . . . ?
C013 C014 C015 C016 0.4(5) . . . . ?
C013 C014 C015 C018 -175.9(3) . . . . ?
C014 C015 C016 C011 1.9(5) . . . . ?
C018 C015 C016 C011 178.3(3) . . . . ?
C012 C011 C016 C015 -2.2(4) . . . . ?
B1 C011 C016 C015 -171.5(3) . . . . ?
C014 C013 C017 F171 28.5(4) . . . . ?
C012 C013 C017 F171 -156.9(3) . . . . ?
C014 C013 C017 F173 150.1(3) . . . . ?
C012 C013 C017 F173 -35.3(4) . . . . ?
C014 C013 C017 F172 -91.2(3) . . . . ?
C012 C013 C017 F172 83.4(3) . . . . ?
C016 C015 C018 F181 172.1(5) . . . . ?
C014 C015 C018 F181 -11.5(6) . . . . ?
C016 C015 C018 F185 21.9(14) . . . . ?
C014 C015 C018 F185 -161.7(14) . . . . ?
C016 C015 C018 F186 -107.8(12) . . . . ?
C014 C015 C018 F186 68.6(13) . . . . ?
C016 C015 C018 F182 50.3(5) . . . . ?
C014 C015 C018 F182 -133.3(4) . . . . ?
C016 C015 C018 F183 -66.4(5) . . . . ?
C014 C015 C018 F183 110.0(5) . . . . ?
C016 C015 C018 F184 143.9(11) . . . . ?
C014 C015 C018 F184 -39.7(12) . . . . ?
C031 B1 C021 C022 156.6(2) . . . . ?
C041 B1 C021 C022 38.1(3) . . . . ?
C011 B1 C021 C022 -82.1(3) . . . . ?
C031 B1 C021 C026 -34.3(4) . . . . ?
C041 B1 C021 C026 -152.9(2) . . . . ?
C011 B1 C021 C026 87.0(3) . . . . ?
C026 C021 C022 C023 -1.0(4) . . . . ?
B1 C021 C022 C023 168.8(3) . . . . ?
C021 C022 C023 C024 3.0(4) . . . . ?
C021 C022 C023 C027 -173.7(3) . . . . ?
C022 C023 C024 C025 -1.8(4) . . . . ?
C027 C023 C024 C025 174.8(3) . . . . ?
C023 C024 C025 C026 -1.2(4) . . . . ?
C023 C024 C025 C028 -179.9(3) . . . . ?
C024 C025 C026 C021 3.2(4) . . . . ?
C028 C025 C026 C021 -178.1(3) . . . . ?
C022 C021 C026 C025 -2.0(4) . . . . ?
B1 C021 C026 C025 -171.6(2) . . . . ?
C024 C023 C027 F271 18.4(4) . . . . ?
C022 C023 C027 F271 -164.9(3) . . . . ?
C024 C023 C027 F272 -102.6(4) . . . . ?
C022 C023 C027 F272 74.1(4) . . . . ?
C024 C023 C027 F273 138.9(3) . . . . ?
C022 C023 C027 F273 -44.4(4) . . . . ?
C026 C025 C028 F282 20.5(4) . . . . ?
C024 C025 C028 F282 -160.7(3) . . . . ?
C026 C025 C028 F281 141.7(3) . . . . ?
C024 C025 C028 F281 -39.6(4) . . . . ?
C026 C025 C028 F283 -99.3(3) . . . . ?
C024 C025 C028 F283 79.4(4) . . . . ?
C041 B1 C031 C032 99.6(3) . . . . ?
C021 B1 C031 C032 -22.3(4) . . . . ?
C011 B1 C031 C032 -137.2(3) . . . . ?
C041 B1 C031 C036 -72.1(3) . . . . ?
C021 B1 C031 C036 165.9(2) . . . . ?
C011 B1 C031 C036 51.1(3) . . . . ?
C036 C031 C032 C033 -2.1(4) . . . . ?
B1 C031 C032 C033 -174.1(3) . . . . ?
C031 C032 C033 C034 2.3(4) . . . . ?
C031 C032 C033 C037 -177.3(3) . . . . ?
C032 C033 C034 C035 0.0(4) . . . . ?
C037 C033 C034 C035 179.5(3) . . . . ?
C033 C034 C035 C036 -2.2(4) . . . . ?
C033 C034 C035 C038 174.4(3) . . . . ?
C034 C035 C036 C031 2.3(4) . . . . ?
C038 C035 C036 C031 -174.1(3) . . . . ?
C032 C031 C036 C035 -0.2(4) . . . . ?
B1 C031 C036 C035 172.3(3) . . . . ?
C034 C033 C037 F371 -80.8(4) . . . . ?
C032 C033 C037 F371 98.7(4) . . . . ?
C034 C033 C037 F373 39.9(4) . . . . ?
C032 C033 C037 F373 -140.6(3) . . . . ?
C034 C033 C037 F372 159.8(3) . . . . ?
C032 C033 C037 F372 -20.7(4) . . . . ?
C034 C035 C038 F382 179.0(8) . . . . ?
C036 C035 C038 F382 -4.5(9) . . . . ?
C034 C035 C038 F386 96.6(9) . . . . ?
C036 C035 C038 F386 -86.8(9) . . . . ?
C034 C035 C038 F381 -53.6(7) . . . . ?
C036 C035 C038 F381 123.0(7) . . . . ?
C034 C035 C038 F384 -34.1(10) . . . . ?
C036 C035 C038 F384 142.5(10) . . . . ?
C034 C035 C038 F383 60.0(6) . . . . ?
C036 C035 C038 F383 -123.5(6) . . . . ?
C034 C035 C038 F385 -148.2(8) . . . . ?
C036 C035 C038 F385 28.4(8) . . . . ?
C031 B1 C041 C046 99.3(3) . . . . ?
C021 B1 C041 C046 -135.6(3) . . . . ?
C011 B1 C041 C046 -23.3(4) . . . . ?
C031 B1 C041 C042 -76.3(3) . . . . ?
C021 B1 C041 C042 48.8(3) . . . . ?
C011 B1 C041 C042 161.2(2) . . . . ?
C046 C041 C042 C043 1.0(4) . . . . ?
B1 C041 C042 C043 176.9(2) . . . . ?
C041 C042 C043 C044 1.0(4) . . . . ?
C041 C042 C043 C047 -175.8(3) . . . . ?
C042 C043 C044 C045 -1.5(4) . . . . ?
C047 C043 C044 C045 175.5(3) . . . . ?
C043 C044 C045 C046 0.0(4) . . . . ?
C043 C044 C045 C048 177.1(3) . . . . ?
C044 C045 C046 C041 2.1(4) . . . . ?
C048 C045 C046 C041 -175.1(3) . . . . ?
C042 C041 C046 C045 -2.5(4) . . . . ?
B1 C041 C046 C045 -178.2(3) . . . . ?
C044 C043 C047 F473 47.5(4) . . . . ?
C042 C043 C047 F473 -135.6(3) . . . . ?
C044 C043 C047 F472 169.3(3) . . . . ?
C042 C043 C047 F472 -13.8(4) . . . . ?
C044 C043 C047 F471 -72.1(3) . . . . ?
C042 C043 C047 F471 104.9(3) . . . . ?
C044 C045 C048 F481 18.9(4) . . . . ?
C046 C045 C048 F481 -163.8(3) . . . . ?
C044 C045 C048 F483 139.9(3) . . . . ?
C046 C045 C048 F483 -42.9(4) . . . . ?
C044 C045 C048 F482 -100.5(4) . . . . ?
C046 C045 C048 F482 76.7(4) . . . . ?
