#------------------------------------------------------------------------------
#$Date: 2019-11-23 13:04:04 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233409 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/88/4348826.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_4348826
loop_
_publ_author_name
'Juvenal, Frank'
'Langlois, Adam'
'Bonnot, Antoine'
'Fortin, Daniel'
'Harvey, Pierre D.'
_publ_section_title
;
 Luminescent 1D- and 2D-Coordination Polymers Using CuX Salts (X = Cl, Br,
 I) and a Metal-Containing Dithioether Ligand.
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11096
_journal_page_last               11109
_journal_paper_doi               10.1021/acs.inorgchem.6b01703
_journal_volume                  55
_journal_year                    2016
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C52 H71 Cl4 Cu4 N1 P4 Pt2 S4'
_chemical_formula_sum            'C52 H71 Cl4 Cu4 N P4 Pt2 S4'
_chemical_formula_weight         1748.36
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2015-03-04T13:22:53-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                108.262(5)
_cell_angle_beta                 94.987(5)
_cell_angle_gamma                109.415(6)
_cell_formula_units_Z            2
_cell_length_a                   13.531(3)
_cell_length_b                   14.255(3)
_cell_length_c                   19.179(4)
_cell_measurement_reflns_used    9873
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.6378
_cell_measurement_theta_min      2.5096
_cell_measurement_wavelength     0.71073
_cell_volume                     3236.9(12)
_computing_cell_refinement       'SAINT V8.27B integration software'
_computing_data_collection       'Bruker APEX2 software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'APEX-II CCD'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_orient_matrix_type       'x-axis to radiation source'
_diffrn_orient_matrix_UB_11      -0.581657E-1
_diffrn_orient_matrix_UB_12      0.107599E-2
_diffrn_orient_matrix_UB_13      0.285714E-1
_diffrn_orient_matrix_UB_21      -0.34973E-1
_diffrn_orient_matrix_UB_22      0.217978E-1
_diffrn_orient_matrix_UB_23      -0.367588E-1
_diffrn_orient_matrix_UB_31      -0.426138E-1
_diffrn_orient_matrix_UB_32      -0.76928E-1
_diffrn_orient_matrix_UB_33      -0.313147E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_av_unetI/netI     0.0611
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18105
_diffrn_reflns_reduction_process
;
 Scaled and merged with Sortav
 R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
 R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         26.86
_diffrn_reflns_theta_min         1.61
_diffrn_source                   'sealed x-ray tube'
_exptl_absorpt_coefficient_mu    6.022
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.498
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.794
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1708
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.804
_refine_diff_density_min         -2.449
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     567
_refine_ls_number_reflns         13461
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0339
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0242P)²+0.6214P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0684
_refine_ls_wR_factor_ref         0.0732
_reflns_number_gt                10259
_reflns_number_total             13461
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic6b01703_si_004.cif
_cod_data_source_block           mo_harvey_fj_1_65_3_0m
_cod_database_code               4348826
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.5188(4) 0.1641(4) 0.4327(3) 0.0274(3) Uani 1 1 d .
H1A H 0.5622 0.2126 0.4827 0.041 Uiso 1 1 calc R
H1B H 0.4555 0.1099 0.4376 0.041 Uiso 1 1 calc R
H1C H 0.4959 0.2048 0.4064 0.041 Uiso 1 1 calc R
C2 C 0.7216(4) 0.2108(4) 0.3942(3) 0.0274(3) Uani 1 1 d .
H2A H 0.7503 0.2505 0.4482 0.041 Uiso 1 1 calc R
H2B H 0.7081 0.2582 0.3704 0.041 Uiso 1 1 calc R
H2C H 0.7736 0.1835 0.3718 0.041 Uiso 1 1 calc R
C3 C 0.6303(4) 0.0275(4) 0.4340(3) 0.0274(3) Uani 1 1 d .
H3A H 0.6883 0.0058 0.4171 0.041 Uiso 1 1 calc R
H3B H 0.567 -0.036 0.427 0.041 Uiso 1 1 calc R
H3C H 0.6535 0.0734 0.4873 0.041 Uiso 1 1 calc R
C4 C 0.4471(5) -0.0530(5) 0.0705(3) 0.0425(4) Uani 1 1 d .
H4A H 0.4217 -0.1053 0.019 0.064 Uiso 1 1 calc R
H4B H 0.521 -0.0044 0.0768 0.064 Uiso 1 1 calc R
H4C H 0.401 -0.0121 0.0805 0.064 Uiso 1 1 calc R
C5 C 0.5134(5) -0.2108(5) 0.1026(3) 0.0425(4) Uani 1 1 d .
H5A H 0.4744 -0.2641 0.0528 0.064 Uiso 1 1 calc R
H5B H 0.5175 -0.2469 0.138 0.064 Uiso 1 1 calc R
H5C H 0.586 -0.1694 0.0998 0.064 Uiso 1 1 calc R
C6 C 0.3072(4) -0.2157(5) 0.1138(3) 0.0425(4) Uani 1 1 d .
H6A H 0.2587 -0.1774 0.1236 0.064 Uiso 1 1 calc R
H6B H 0.3015 -0.2586 0.1455 0.064 Uiso 1 1 calc R
H6C H 0.2876 -0.2626 0.0608 0.064 Uiso 1 1 calc R
C7 C 0.6585(4) 0.0357(4) 0.2253(3) 0.0234(11) Uani 1 1 d .
C8 C 0.7418(4) 0.0576(4) 0.2011(3) 0.0258(12) Uani 1 1 d .
C9 C 0.8446(4) 0.0614(4) 0.1823(3) 0.0250(12) Uani 1 1 d .
C10 C 0.8692(4) 0.0690(5) 0.1152(3) 0.0381(15) Uani 1 1 d .
H10 H 0.8176 0.0721 0.0801 0.046 Uiso 1 1 calc R
C11 C 0.9672(5) 0.0722(5) 0.0982(3) 0.0429(16) Uani 1 1 d .
H11 H 0.9822 0.0777 0.0518 0.051 Uiso 1 1 calc R
C12 C 1.0439(4) 0.0673(4) 0.1489(3) 0.0349(14) Uani 1 1 d .
C13 C 1.0201(4) 0.0590(5) 0.2164(3) 0.0378(14) Uani 1 1 d .
H13 H 1.0713 0.055 0.2513 0.045 Uiso 1 1 calc R
C14 C 0.9210(4) 0.0564(4) 0.2327(3) 0.0326(13) Uani 1 1 d .
H14 H 0.9055 0.0512 0.279 0.039 Uiso 1 1 calc R
C15 C 1.2528(5) 0.0976(6) 0.2055(4) 0.0579(10) Uani 1 1 d .
H15A H 1.26 0.1659 0.2429 0.087 Uiso 1 1 calc R
H15B H 1.3235 0.1009 0.1954 0.087 Uiso 1 1 calc R
H15C H 1.2232 0.0403 0.2246 0.087 Uiso 1 1 calc R
C16 C 0.3751(4) -0.0517(4) 0.2866(3) 0.0259(12) Uani 1 1 d .
C17 C 0.2874(4) -0.0727(4) 0.3047(3) 0.0253(12) Uani 1 1 d .
C18 C 0.1833(4) -0.0756(4) 0.3216(3) 0.0232(11) Uani 1 1 d .
C19 C 0.0879(4) -0.1548(4) 0.2746(3) 0.0295(13) Uani 1 1 d .
H19 H 0.091 -0.2075 0.2309 0.035 Uiso 1 1 calc R
C20 C -0.0102(4) -0.1587(4) 0.2896(3) 0.0301(13) Uani 1 1 d .
H20 H -0.0738 -0.214 0.2567 0.036 Uiso 1 1 calc R
C21 C -0.0171(4) -0.0817(4) 0.3533(3) 0.0250(12) Uani 1 1 d .
C22 C 0.0775(4) -0.0031(4) 0.4007(3) 0.0252(12) Uani 1 1 d .
H22 H 0.0742 0.0489 0.4448 0.03 Uiso 1 1 calc R
C23 C 0.1767(4) 0.0014(4) 0.3850(3) 0.0277(12) Uani 1 1 d .
H23 H 0.2402 0.0571 0.4176 0.033 Uiso 1 1 calc R
C24 C -0.2400(5) -0.1666(6) 0.2985(4) 0.0579(10) Uani 1 1 d .
H24A H -0.2249 -0.1406 0.2574 0.087 Uiso 1 1 calc R
H24B H -0.3099 -0.1668 0.3085 0.087 Uiso 1 1 calc R
H24C H -0.2413 -0.2394 0.2842 0.087 Uiso 1 1 calc R
C25 C 0.6068(4) -0.3396(5) 0.4273(3) 0.0362(3) Uani 1 1 d .
H25A H 0.6631 -0.3176 0.4715 0.054 Uiso 1 1 calc R
H25B H 0.5381 -0.3473 0.4426 0.054 Uiso 1 1 calc R
H25C H 0.6246 -0.2853 0.4042 0.054 Uiso 1 1 calc R
C26 C 0.7326(4) -0.4452(5) 0.3520(3) 0.0362(3) Uani 1 1 d .
H26A H 0.7785 -0.4159 0.4023 0.054 Uiso 1 1 calc R
H26B H 0.7568 -0.3949 0.3262 0.054 Uiso 1 1 calc R
H26C H 0.7369 -0.5134 0.3232 0.054 Uiso 1 1 calc R
C27 C 0.5651(4) -0.5556(5) 0.4117(3) 0.0362(3) Uani 1 1 d .
H27A H 0.5658 -0.6248 0.3814 0.054 Uiso 1 1 calc R
H27B H 0.4938 -0.5654 0.4229 0.054 Uiso 1 1 calc R
H27C H 0.6186 -0.5248 0.4588 0.054 Uiso 1 1 calc R
C28 C 0.3602(4) -0.7135(4) 0.0703(3) 0.0282(3) Uani 1 1 d .
H28A H 0.3034 -0.7416 0.0253 0.042 Uiso 1 1 calc R
H28B H 0.3522 -0.7685 0.0923 0.042 Uiso 1 1 calc R
H28C H 0.4303 -0.6933 0.0567 0.042 Uiso 1 1 calc R
C29 C 0.3687(4) -0.5017(4) 0.0923(3) 0.0282(3) Uani 1 1 d .
H29A H 0.4434 -0.4752 0.0871 0.042 Uiso 1 1 calc R
H29B H 0.3516 -0.4418 0.1224 0.042 Uiso 1 1 calc R
H29C H 0.321 -0.5361 0.0424 0.042 Uiso 1 1 calc R
C30 C 0.2103(4) -0.6394(4) 0.1432(3) 0.0282(3) Uani 1 1 d .
H30A H 0.195 -0.577 0.1707 0.042 Uiso 1 1 calc R
H30B H 0.1945 -0.6899 0.1695 0.042 Uiso 1 1 calc R
H30C H 0.1656 -0.6741 0.0923 0.042 Uiso 1 1 calc R
C31 C 0.3606(4) -0.5321(4) 0.3099(3) 0.0261(12) Uani 1 1 d .
C32 C 0.2946(4) -0.5319(4) 0.3513(3) 0.0240(11) Uani 1 1 d .
C33 C 0.2169(4) -0.5666(4) 0.3955(3) 0.0219(11) Uani 1 1 d .
C34 C 0.1700(4) -0.6737(4) 0.3868(3) 0.0312(13) Uani 1 1 d .
H34 H 0.1881 -0.7249 0.3507 0.037 Uiso 1 1 calc R
C35 C 0.0978(4) -0.7077(4) 0.4290(3) 0.0307(13) Uani 1 1 d .
H35 H 0.0666 -0.7814 0.4216 0.037 Uiso 1 1 calc R
C36 C 0.0710(4) -0.6330(4) 0.4827(2) 0.0203(11) Uani 1 1 d .
C37 C 0.1193(4) -0.5259(4) 0.4917(3) 0.0206(11) Uani 1 1 d .
H37 H 0.1027 -0.4741 0.5284 0.025 Uiso 1 1 calc R
C38 C 0.1899(4) -0.4931(4) 0.4494(2) 0.0193(10) Uani 1 1 d .
H38 H 0.2208 -0.4194 0.4567 0.023 Uiso 1 1 calc R
C39 C -0.0502(5) -0.8013(6) 0.5243(4) 0.0579(10) Uani 1 1 d .
H39A H -0.0835 -0.8444 0.4712 0.087 Uiso 1 1 calc R
H39B H -0.0997 -0.8239 0.5556 0.087 Uiso 1 1 calc R
H39C H 0.0163 -0.8111 0.5375 0.087 Uiso 1 1 calc R
C40 C 0.5842(4) 0.4773(4) 0.1887(3) 0.0250(12) Uani 1 1 d .
C41 C 0.6547(4) 0.4910(4) 0.1505(3) 0.0253(12) Uani 1 1 d .
C42 C 0.7334(4) 0.5531(4) 0.1189(2) 0.0221(11) Uani 1 1 d .
C43 C 0.7371(4) 0.6543(4) 0.1228(3) 0.0262(12) Uani 1 1 d .
H43 H 0.684 0.6784 0.1421 0.031 Uiso 1 1 calc R
C44 C 0.8161(4) 0.7191(4) 0.0991(3) 0.0302(12) Uani 1 1 d .
H44 H 0.8172 0.7875 0.1029 0.036 Uiso 1 1 calc R
C45 C 0.8940(4) 0.6859(4) 0.0697(3) 0.0260(12) Uani 1 1 d .
C46 C 0.8878(4) 0.5838(5) 0.0615(3) 0.0329(13) Uani 1 1 d .
H46 H 0.9379 0.5581 0.0387 0.04 Uiso 1 1 calc R
C47 C 0.8091(4) 0.5185(4) 0.0863(3) 0.0308(13) Uani 1 1 d .
H47 H 0.807 0.4492 0.0808 0.037 Uiso 1 1 calc R
C48 C 1.0550(5) 0.6955(6) -0.0112(4) 0.0579(10) Uani 1 1 d .
H48A H 1.0899 0.6669 0.0192 0.087 Uiso 1 1 calc R
H48B H 1.1083 0.7377 -0.0324 0.087 Uiso 1 1 calc R
H48C H 0.9988 0.6364 -0.0522 0.087 Uiso 1 1 calc R
Cl1 Cl 0.72982(11) 0.25574(11) 0.11364(7) 0.0293(3) Uani 1 1 d .
Cl2 Cl 0.55071(13) 0.23851(13) 0.22488(10) 0.0479(4) Uani 1 1 d .
Cl3 Cl 0.45687(11) -0.27339(11) 0.28779(8) 0.0361(3) Uani 1 1 d .
Cl4 Cl 0.25172(11) -0.28096(11) 0.37984(7) 0.0321(3) Uani 1 1 d .
Cu1 Cu 0.66835(5) 0.15781(5) 0.18815(3) 0.02567(15) Uani 1 1 d .
Cu2 Cu 0.63233(5) 0.35215(5) 0.16534(3) 0.02669(15) Uani 1 1 d .
Cu3 Cu 0.34613(5) -0.18307(5) 0.31492(3) 0.02545(15) Uani 1 1 d .
Cu4 Cu 0.33965(5) -0.39104(5) 0.33215(3) 0.02418(14) Uani 1 1 d .
P1 P 0.59735(11) 0.10002(11) 0.37983(7) 0.0274(3) Uani 1 1 d .
P2 P 0.44285(13) -0.12114(13) 0.13489(8) 0.0425(4) Uani 1 1 d .
P3 P 0.59655(12) -0.46616(13) 0.36000(8) 0.0362(3) Uani 1 1 d .
P4 P 0.35034(11) -0.59742(12) 0.13815(7) 0.0282(3) Uani 1 1 d .
Pt1 Pt 0.517565(15) -0.008208(15) 0.256927(10) 0.01915(5) Uani 1 1 d .
Pt2 Pt 0.472648(15) -0.529903(16) 0.249466(10) 0.01944(6) Uani 1 1 d .
S1 S -0.13819(11) -0.08123(12) 0.38097(7) 0.0345(3) Uani 1 1 d .
S2 S -0.02070(10) -0.66365(10) 0.53986(7) 0.0252(3) Uani 1 1 d .
S3 S 1.16683(13) 0.07190(14) 0.12211(11) 0.0537(5) Uani 1 1 d .
S4 S 0.99679(13) 0.77885(13) 0.04641(8) 0.0436(4) Uani 1 1 d .
C49 C 0.9279(5) 0.3713(5) 0.2998(3) 0.0453(16) Uani 1 1 d .
H49A H 0.9522 0.4254 0.3507 0.068 Uiso 1 1 calc R
H49B H 0.9335 0.305 0.3012 0.068 Uiso 1 1 calc R
H49C H 0.8531 0.3577 0.2803 0.068 Uiso 1 1 calc R
C50 C 0.9981(5) 0.4113(5) 0.2487(3) 0.0421(15) Uani 1 1 d .
H50A H 1.0731 0.4229 0.2681 0.051 Uiso 1 1 calc R
H50B H 0.974 0.3554 0.1978 0.051 Uiso 1 1 calc R
C51 C 0.9950(5) 0.5131(5) 0.2433(3) 0.0472(16) Uani 1 1 d .
H51A H 0.9202 0.5007 0.2226 0.057 Uiso 1 1 calc R
H51B H 1.0168 0.5681 0.2945 0.057 Uiso 1 1 calc R
C52 C 1.0640(5) 0.5538(5) 0.1965(4) 0.0456(16) Uani 1 1 d .
N1 N 1.1189(5) 0.5839(5) 0.1599(3) 0.0627(17) 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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 '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'
S S 0.1246 0.1234 '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'
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
C8 C7 Pt1 175.7(4) . .
C8 C7 Cu1 72.6(3) . .
Pt1 C7 Cu1 107.6(2) . .
C7 C8 C9 163.1(5) . .
C7 C8 Cu1 72.2(3) . .
C9 C8 Cu1 124.5(4) . .
C10 C9 C14 118.3(5) . .
C10 C9 C8 122.4(5) . .
C14 C9 C8 119.3(5) . .
C11 C10 C9 121.6(5) . .
C10 C11 C12 120.1(5) . .
C13 C12 C11 119.0(5) . .
C13 C12 S3 124.2(5) . .
C11 C12 S3 116.8(4) . .
C12 C13 C14 120.0(5) . .
C9 C14 C13 121.0(5) . .
C17 C16 Pt1 176.2(4) . .
C17 C16 Cu3 72.4(3) . .
Pt1 C16 Cu3 111.4(2) . .
C16 C17 C18 166.2(5) . .
C16 C17 Cu3 72.4(3) . .
C18 C17 Cu3 121.4(4) . .
C23 C18 C19 118.0(4) . .
C23 C18 C17 120.8(5) . .
C19 C18 C17 121.2(4) . .
C20 C19 C18 121.9(5) . .
C19 C20 C21 120.2(5) . .
C22 C21 C20 118.3(5) . .
C22 C21 S1 117.1(4) . .
C20 C21 S1 124.5(4) . .
C23 C22 C21 121.4(5) . .
C22 C23 C18 120.2(5) . .
C32 C31 Pt2 176.5(4) . .
C32 C31 Cu4 72.9(3) . .
Pt2 C31 Cu4 107.7(2) . .
C31 C32 C33 161.2(5) . .
C31 C32 Cu4 71.8(3) . .
C33 C32 Cu4 127.0(4) . .
C34 C33 C38 117.8(4) . .
C34 C33 C32 121.1(4) . .
C38 C33 C32 121.0(5) . .
C35 C34 C33 121.9(5) . .
C34 C35 C36 119.7(5) . .
C37 C36 C35 118.0(4) . .
C37 C36 S2 116.8(4) . .
C35 C36 S2 125.2(4) . .
C38 C37 C36 122.0(4) . .
C37 C38 C33 120.6(5) . .
C41 C40 Pt2 174.1(4) . 1_565
C41 C40 Cu2 71.2(3) . .
Pt2 C40 Cu2 114.7(2) 1_565 .
C40 C41 C42 154.4(5) . .
C40 C41 Cu2 72.7(3) . .
C42 C41 Cu2 131.9(4) . .
C47 C42 C43 117.3(5) . .
C47 C42 C41 123.0(5) . .
C43 C42 C41 119.7(4) . .
C44 C43 C42 121.3(5) . .
C43 C44 C45 120.9(5) . .
C44 C45 C46 118.4(5) . .
C44 C45 S4 117.2(4) . .
C46 C45 S4 124.4(4) . .
C45 C46 C47 120.9(5) . .
C46 C47 C42 121.0(5) . .
Cu2 Cl1 Cu1 85.47(5) . .
Cu1 Cl2 Cu2 85.28(5) . .
Cu3 Cl3 Cu4 83.31(5) . .
Cu4 Cl4 Cu3 83.46(5) . .
C7 Cu1 C8 35.15(19) . .
C7 Cu1 Cl2 114.18(14) . .
C8 Cu1 Cl2 147.91(15) . .
C7 Cu1 Cl1 151.64(14) . .
C8 Cu1 Cl1 117.98(15) . .
Cl2 Cu1 Cl1 93.73(5) . .
C41 Cu2 C40 36.11(19) . .
C41 Cu2 Cl1 118.88(15) . .
C40 Cu2 Cl1 154.99(15) . .
C41 Cu2 Cl2 146.60(15) . .
C40 Cu2 Cl2 110.66(15) . .
Cl1 Cu2 Cl2 94.30(5) . .
C17 Cu3 C16 35.25(19) . .
C17 Cu3 Cl3 151.57(15) . .
C16 Cu3 Cl3 117.41(15) . .
C17 Cu3 Cl4 112.06(15) . .
C16 Cu3 Cl4 145.92(15) . .
Cl3 Cu3 Cl4 96.16(5) . .
C17 Cu3 Cu4 156.78(15) . .
C16 Cu3 Cu4 165.98(14) . .
Cl3 Cu3 Cu4 49.08(4) . .
Cl4 Cu3 Cu4 48.07(4) . .
C31 Cu4 C32 35.36(18) . .
C31 Cu4 Cl4 151.43(15) . .
C32 Cu4 Cl4 116.31(14) . .
C31 Cu4 Cl3 113.45(15) . .
C32 Cu4 Cl3 148.35(14) . .
Cl4 Cu4 Cl3 95.10(5) . .
C31 Cu4 Cu3 158.70(14) . .
C32 Cu4 Cu3 163.86(14) . .
Cl4 Cu4 Cu3 48.47(4) . .
Cl3 Cu4 Cu3 47.61(4) . .
C1 P1 C3 103.9(2) . .
C1 P1 C2 102.8(2) . .
C3 P1 C2 104.9(2) . .
C1 P1 Pt1 116.20(17) . .
C3 P1 Pt1 112.01(17) . .
C2 P1 Pt1 115.69(17) . .
C4 P2 C6 106.1(3) . .
C4 P2 C5 106.1(3) . .
C6 P2 C5 100.8(3) . .
C4 P2 Pt1 113.29(19) . .
C6 P2 Pt1 118.07(18) . .
C5 P2 Pt1 111.19(19) . .
C26 P3 C25 103.5(3) . .
C26 P3 C27 104.5(2) . .
C25 P3 C27 103.6(3) . .
C26 P3 Pt2 116.47(17) . .
C25 P3 Pt2 115.29(17) . .
C27 P3 Pt2 112.05(19) . .
C29 P4 C30 104.5(2) . .
C29 P4 C28 105.4(2) . .
C30 P4 C28 104.4(2) . .
C29 P4 Pt2 111.99(17) . .
C30 P4 Pt2 116.63(16) . .
C28 P4 Pt2 112.95(17) . .
C16 Pt1 C7 178.74(19) . .
C16 Pt1 P2 91.70(15) . .
C7 Pt1 P2 87.48(14) . .
C16 Pt1 P1 89.50(14) . .
C7 Pt1 P1 91.37(14) . .
P2 Pt1 P1 177.15(6) . .
C40 Pt2 C31 177.8(2) 1_545 .
C40 Pt2 P4 86.74(14) 1_545 .
C31 Pt2 P4 92.82(15) . .
C40 Pt2 P3 92.55(14) 1_545 .
C31 Pt2 P3 87.94(15) . .
P4 Pt2 P3 178.45(5) . .
C21 S1 C24 104.6(3) . .
C36 S2 C39 104.7(3) . .
C15 S3 C12 104.1(3) . .
C45 S4 C48 102.3(3) . .
C51 C50 C49 113.4(5) . .
C52 C51 C50 113.9(5) . .
N1 C52 C51 178.5(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 P1 1.801(5) .
C2 P1 1.810(5) .
C3 P1 1.802(5) .
C4 P2 1.788(6) .
C5 P2 1.829(6) .
C6 P2 1.798(6) .
C7 C8 1.238(7) .
C7 Pt1 2.010(5) .
C7 Cu1 2.048(5) .
C8 C9 1.454(7) .
C8 Cu1 2.053(5) .
C9 C10 1.383(7) .
C9 C14 1.389(7) .
C10 C11 1.382(7) .
C11 C12 1.394(8) .
C12 C13 1.391(8) .
C12 S3 1.770(5) .
C13 C14 1.395(7) .
C15 S3 1.752(6) .
C16 C17 1.233(7) .
C16 Pt1 2.010(5) .
C16 Cu3 2.035(5) .
C17 C18 1.463(7) .
C17 Cu3 2.035(5) .
C18 C23 1.393(7) .
C18 C19 1.394(7) .
C19 C20 1.370(7) .
C20 C21 1.397(7) .
C21 C22 1.388(7) .
C21 S1 1.768(5) .
C22 C23 1.385(7) .
C24 S1 1.784(7) .
C25 P3 1.813(5) .
C26 P3 1.793(5) .
C27 P3 1.816(6) .
C28 P4 1.810(5) .
C29 P4 1.807(5) .
C30 P4 1.809(5) .
C31 C32 1.244(6) .
C31 Pt2 1.985(5) .
C31 Cu4 2.042(5) .
C32 C33 1.465(7) .
C32 Cu4 2.055(5) .
C33 C34 1.392(7) .
C33 C38 1.393(6) .
C34 C35 1.384(7) .
C35 C36 1.400(6) .
C36 C37 1.393(6) .
C36 S2 1.762(5) .
C37 C38 1.366(6) .
C39 S2 1.786(7) .
C40 C41 1.254(7) .
C40 Pt2 1.981(5) 1_565
C40 Cu2 2.032(5) .
C41 C42 1.451(7) .
C41 Cu2 2.014(5) .
C42 C47 1.392(6) .
C42 C43 1.405(7) .
C43 C44 1.377(7) .
C44 C45 1.386(7) .
C45 C46 1.388(7) .
C45 S4 1.772(5) .
C46 C47 1.389(7) .
C48 S4 1.790(6) .
Cl1 Cu2 2.2783(14) .
Cl1 Cu1 2.3169(14) .
Cl2 Cu1 2.2931(15) .
Cl2 Cu2 2.3103(16) .
Cl3 Cu3 2.2742(14) .
Cl3 Cu4 2.3266(15) .
Cl4 Cu4 2.2902(14) .
Cl4 Cu3 2.3042(14) .
Cu3 Cu4 3.0581(11) .
P1 Pt1 2.2963(14) .
P2 Pt1 2.2885(15) .
P3 Pt2 2.3006(14) .
P4 Pt2 2.2939(14) .
Pt2 C40 1.981(5) 1_545
C49 C50 1.530(8) .
C50 C51 1.501(8) .
C51 C52 1.457(9) .
C52 N1 1.140(8) .
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_4
Pt1 C7 C8 C9 -94(6) . .
Cu1 C7 C8 C9 172.1(18) . .
Pt1 C7 C8 Cu1 93(6) . .
C7 C8 C9 C10 142.7(17) . .
Cu1 C8 C9 C10 -46.4(7) . .
C7 C8 C9 C14 -37(2) . .
Cu1 C8 C9 C14 134.2(4) . .
C14 C9 C10 C11 -0.4(9) . .
C8 C9 C10 C11 -179.8(5) . .
C9 C10 C11 C12 0.2(9) . .
C10 C11 C12 C13 0.2(9) . .
C10 C11 C12 S3 180.0(5) . .
C11 C12 C13 C14 -0.6(9) . .
S3 C12 C13 C14 179.7(4) . .
C10 C9 C14 C13 0.0(8) . .
C8 C9 C14 C13 179.5(5) . .
C12 C13 C14 C9 0.4(9) . .
Pt1 C16 C17 C18 9(9) . .
Cu3 C16 C17 C18 -18E1(10) . .
Pt1 C16 C17 Cu3 -172(7) . .
C16 C17 C18 C23 -72(2) . .
Cu3 C17 C18 C23 109.4(5) . .
C16 C17 C18 C19 108(2) . .
Cu3 C17 C18 C19 -71.2(6) . .
C23 C18 C19 C20 -0.6(8) . .
C17 C18 C19 C20 180.0(5) . .
C18 C19 C20 C21 0.4(8) . .
C19 C20 C21 C22 -0.8(8) . .
C19 C20 C21 S1 -177.2(4) . .
C20 C21 C22 C23 1.5(8) . .
S1 C21 C22 C23 178.1(4) . .
C21 C22 C23 C18 -1.7(8) . .
C19 C18 C23 C22 1.2(7) . .
C17 C18 C23 C22 -179.4(5) . .
Pt2 C31 C32 C33 -84(8) . .
Cu4 C31 C32 C33 176.7(16) . .
Pt2 C31 C32 Cu4 99(7) . .
C31 C32 C33 C34 -15.2(18) . .
Cu4 C32 C33 C34 160.9(4) . .
C31 C32 C33 C38 162.9(14) . .
Cu4 C32 C33 C38 -21.0(7) . .
C38 C33 C34 C35 0.7(8) . .
C32 C33 C34 C35 178.9(5) . .
C33 C34 C35 C36 -0.5(8) . .
C34 C35 C36 C37 -0.3(7) . .
C34 C35 C36 S2 179.0(4) . .
C35 C36 C37 C38 0.8(7) . .
S2 C36 C37 C38 -178.6(4) . .
C36 C37 C38 C33 -0.6(7) . .
C34 C33 C38 C37 -0.2(7) . .
C32 C33 C38 C37 -178.3(4) . .
Pt2 C40 C41 C42 12(5) 1_565 .
Cu2 C40 C41 C42 -166.0(11) . .
Pt2 C40 C41 Cu2 18E1(10) 1_565 .
C40 C41 C42 C47 166.6(10) . .
Cu2 C41 C42 C47 4.7(8) . .
C40 C41 C42 C43 -11.4(13) . .
Cu2 C41 C42 C43 -173.3(4) . .
C47 C42 C43 C44 -3.6(7) . .
C41 C42 C43 C44 174.6(4) . .
C42 C43 C44 C45 0.8(8) . .
C43 C44 C45 C46 2.9(7) . .
C43 C44 C45 S4 -176.1(4) . .
C44 C45 C46 C47 -3.8(8) . .
S4 C45 C46 C47 175.1(4) . .
C45 C46 C47 C42 0.9(8) . .
C43 C42 C47 C46 2.7(8) . .
C41 C42 C47 C46 -175.4(5) . .
Pt1 C7 Cu1 C8 -175.5(4) . .
C8 C7 Cu1 Cl2 -167.3(3) . .
Pt1 C7 Cu1 Cl2 17.2(2) . .
C8 C7 Cu1 Cl1 23.7(5) . .
Pt1 C7 Cu1 Cl1 -151.81(16) . .
C9 C8 Cu1 C7 -177.2(6) . .
C7 C8 Cu1 Cl2 22.2(5) . .
C9 C8 Cu1 Cl2 -155.0(3) . .
C7 C8 Cu1 Cl1 -167.5(3) . .
C9 C8 Cu1 Cl1 15.2(5) . .
Cu2 Cl2 Cu1 C7 176.92(15) . .
Cu2 Cl2 Cu1 C8 163.1(3) . .
Cu2 Cl2 Cu1 Cl1 -8.27(6) . .
Cu2 Cl1 Cu1 C7 178.4(3) . .
Cu2 Cl1 Cu1 C8 -166.44(16) . .
Cu2 Cl1 Cu1 Cl2 8.39(6) . .
C42 C41 Cu2 C40 171.9(7) . .
C40 C41 Cu2 Cl1 179.6(3) . .
C42 C41 Cu2 Cl1 -8.5(5) . .
C40 C41 Cu2 Cl2 -7.7(5) . .
C42 C41 Cu2 Cl2 164.2(3) . .
Pt2 C40 Cu2 C41 -179.8(5) 1_565 .
C41 C40 Cu2 Cl1 -0.9(5) . .
Pt2 C40 Cu2 Cl1 179.35(13) 1_565 .
C41 C40 Cu2 Cl2 175.5(3) . .
Pt2 C40 Cu2 Cl2 -4.3(3) 1_565 .
Cu1 Cl1 Cu2 C41 167.66(16) . .
Cu1 Cl1 Cu2 C40 168.3(3) . .
Cu1 Cl1 Cu2 Cl2 -8.33(6) . .
Cu1 Cl2 Cu2 C41 -165.2(3) . .
Cu1 Cl2 Cu2 C40 -170.04(15) . .
Cu1 Cl2 Cu2 Cl1 8.42(6) . .
C18 C17 Cu3 C16 179.7(6) . .
C16 C17 Cu3 Cl3 -20.3(5) . .
C18 C17 Cu3 Cl3 159.4(3) . .
C16 C17 Cu3 Cl4 167.2(3) . .
C18 C17 Cu3 Cl4 -13.1(4) . .
C16 C17 Cu3 Cu4 -165.0(3) . .
C18 C17 Cu3 Cu4 14.7(7) . .
Pt1 C16 Cu3 C17 179.4(5) . .
C17 C16 Cu3 Cl3 169.3(3) . .
Pt1 C16 Cu3 Cl3 -11.3(3) . .
C17 C16 Cu3 Cl4 -21.5(5) . .
Pt1 C16 Cu3 Cl4 157.93(11) . .
C17 C16 Cu3 Cu4 155.0(5) . .
Pt1 C16 Cu3 Cu4 -25.5(8) . .
Cu4 Cl3 Cu3 C17 -162.5(3) . .
Cu4 Cl3 Cu3 C16 -175.47(16) . .
Cu4 Cl3 Cu3 Cl4 10.60(6) . .
Cu4 Cl4 Cu3 C17 165.67(15) . .
Cu4 Cl4 Cu3 C16 178.9(3) . .
Cu4 Cl4 Cu3 Cl3 -10.76(6) . .
Pt2 C31 Cu4 C32 -176.4(5) . .
C32 C31 Cu4 Cl4 -9.4(5) . .
Pt2 C31 Cu4 Cl4 174.16(11) . .
C32 C31 Cu4 Cl3 172.8(3) . .
Pt2 C31 Cu4 Cl3 -3.6(3) . .
C32 C31 Cu4 Cu3 -162.7(3) . .
Pt2 C31 Cu4 Cu3 20.9(6) . .
C33 C32 Cu4 C31 -178.7(6) . .
C31 C32 Cu4 Cl4 175.0(3) . .
C33 C32 Cu4 Cl4 -3.7(5) . .
C31 C32 Cu4 Cl3 -12.6(5) . .
C33 C32 Cu4 Cl3 168.7(3) . .
C31 C32 Cu4 Cu3 157.2(4) . .
C33 C32 Cu4 Cu3 -21.5(8) . .
Cu3 Cl4 Cu4 C31 -167.4(3) . .
Cu3 Cl4 Cu4 C32 -173.48(15) . .
Cu3 Cl4 Cu4 Cl3 10.50(5) . .
Cu3 Cl3 Cu4 C31 168.26(15) . .
Cu3 Cl3 Cu4 C32 176.2(3) . .
Cu3 Cl3 Cu4 Cl4 -10.64(6) . .
C17 Cu3 Cu4 C31 127.7(5) . .
C16 Cu3 Cu4 C31 -14.1(7) . .
Cl3 Cu3 Cu4 C31 -30.9(4) . .
Cl4 Cu3 Cu4 C31 163.3(4) . .
C17 Cu3 Cu4 C32 -14.1(6) . .
C16 Cu3 Cu4 C32 -155.9(8) . .
Cl3 Cu3 Cu4 C32 -172.8(5) . .
Cl4 Cu3 Cu4 C32 21.5(5) . .
C17 Cu3 Cu4 Cl4 -35.6(4) . .
C16 Cu3 Cu4 Cl4 -177.4(6) . .
Cl3 Cu3 Cu4 Cl4 165.78(7) . .
C17 Cu3 Cu4 Cl3 158.6(4) . .
C16 Cu3 Cu4 Cl3 16.8(6) . .
Cl4 Cu3 Cu4 Cl3 -165.78(7) . .
C17 C16 Pt1 C7 -52(13) . .
Cu3 C16 Pt1 C7 136(9) . .
C17 C16 Pt1 P2 -101(7) . .
Cu3 C16 Pt1 P2 87.1(2) . .
C17 C16 Pt1 P1 82(7) . .
Cu3 C16 Pt1 P1 -90.3(2) . .
C8 C7 Pt1 C16 -54(13) . .
Cu1 C7 Pt1 C16 38(9) . .
C8 C7 Pt1 P2 -5(6) . .
Cu1 C7 Pt1 P2 87.34(18) . .
C8 C7 Pt1 P1 173(6) . .
Cu1 C7 Pt1 P1 -95.27(18) . .
C4 P2 Pt1 C16 114.4(3) . .
C6 P2 Pt1 C16 -10.4(3) . .
C5 P2 Pt1 C16 -126.2(3) . .
C4 P2 Pt1 C7 -64.7(3) . .
C6 P2 Pt1 C7 170.5(3) . .
C5 P2 Pt1 C7 54.7(2) . .
C4 P2 Pt1 P1 -130.9(11) . .
C6 P2 Pt1 P1 104.3(11) . .
C5 P2 Pt1 P1 -11.5(12) . .
C1 P1 Pt1 C16 -34.8(2) . .
C3 P1 Pt1 C16 84.4(2) . .
C2 P1 Pt1 C16 -155.5(2) . .
C1 P1 Pt1 C7 144.3(2) . .
C3 P1 Pt1 C7 -96.5(2) . .
C2 P1 Pt1 C7 23.6(2) . .
C1 P1 Pt1 P2 -149.6(11) . .
C3 P1 Pt1 P2 -30.4(12) . .
C2 P1 Pt1 P2 89.8(11) . .
C32 C31 Pt2 C40 -108(8) . 1_545
Cu4 C31 Pt2 C40 -9(5) . 1_545
C32 C31 Pt2 P4 174(7) . .
Cu4 C31 Pt2 P4 -87.5(2) . .
C32 C31 Pt2 P3 -5(7) . .
Cu4 C31 Pt2 P3 93.8(2) . .
C29 P4 Pt2 C40 -64.3(2) . 1_545
C30 P4 Pt2 C40 175.4(2) . 1_545
C28 P4 Pt2 C40 54.5(2) . 1_545
C29 P4 Pt2 C31 113.6(2) . .
C30 P4 Pt2 C31 -6.7(2) . .
C28 P4 Pt2 C31 -127.6(2) . .
C29 P4 Pt2 P3 -127(2) . .
C30 P4 Pt2 P3 113(2) . .
C28 P4 Pt2 P3 -8(2) . .
C26 P3 Pt2 C40 -4.3(3) . 1_545
C25 P3 Pt2 C40 117.4(3) . 1_545
C27 P3 Pt2 C40 -124.5(2) . 1_545
C26 P3 Pt2 C31 177.8(3) . .
C25 P3 Pt2 C31 -60.5(3) . .
C27 P3 Pt2 C31 57.6(2) . .
C26 P3 Pt2 P4 58(2) . .
C25 P3 Pt2 P4 -18E1(10) . .
C27 P3 Pt2 P4 -62(2) . .
C22 C21 S1 C24 165.3(4) . .
C20 C21 S1 C24 -18.3(5) . .
C37 C36 S2 C39 -171.4(4) . .
C35 C36 S2 C39 9.3(5) . .
C13 C12 S3 C15 -14.4(6) . .
C11 C12 S3 C15 165.8(5) . .
C44 C45 S4 C48 -164.8(4) . .
C46 C45 S4 C48 16.3(5) . .
C49 C50 C51 C52 178.2(5) . .
C50 C51 C52 N1 -1E1(3) . .
