#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:28:38 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178607 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/18/4071814.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_4071814
loop_
_publ_author_name
'Moret, Marc-Etienne'
'Chen, Peter'
_publ_section_title
;
 Mononuclear Organometallic Platinum(II) Complexes and
 Platinum(II)−Copper(I) Mixed Complexes from Symmetrical
 3,5-Bis(iminoacetyl)pyrazolate Ligands
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              4903
_journal_paper_doi               10.1021/om800403y
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C60 H68 Cu N8 O4 Pt2 S2, C6 H6, Cl2 Cu'
_chemical_formula_sum            'C66 H74 Cl2 Cu2 N8 O4 Pt2 S2'
_chemical_formula_weight         1695.63
_chemical_name_systematic
;                                                                              
 ?                                                                             
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.919(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.8131(13)
_cell_length_b                   15.2421(12)
_cell_length_c                   17.6737(15)
_cell_measurement_reflns_used    8997
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      26.35
_cell_measurement_theta_min      1.34
_cell_volume                     6635.6(9)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Kappa CCD'
_computing_data_reduction        'Denzo + Scalepak (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEP (Johnson,1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et Al., 1997)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full .989
_diffrn_measured_fraction_theta_max .989
_diffrn_measurement_device_type  'Kappa CCD'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0908
_diffrn_reflns_av_sigmaI/netI    0.0996
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            25361
_diffrn_reflns_theta_full        26.35
_diffrn_reflns_theta_max         26.35
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    5.032
_exptl_absorpt_correction_T_max  .9061
_exptl_absorpt_correction_T_min  .6331
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing R.H. 1987'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Cut fragment'
_exptl_crystal_F_000             3352
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.682
_refine_diff_density_min         -2.656
_refine_diff_density_rms         .324
_refine_ls_extinction_coef       0.00206(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     793
_refine_ls_number_reflns         13371
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.1106
_refine_ls_R_factor_gt           0.0704
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0996P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1623
_refine_ls_wR_factor_ref         0.1901
_reflns_number_gt                9026
_reflns_number_total             13371
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800403y_si_001.cif
_cod_data_source_block           moret17_ch_07
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               4071814
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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_calc_flag
_atom_site_refinement_flags
Pt1 Pt 0.091039(14) 0.67846(2) 0.13940(2) 0.03633(14) Uani 1 d .
Cu1 Cu 0.0000 0.47674(10) 0.2500 0.0435(4) Uani 1 d .
S1 S 0.12877(11) 0.58957(16) 0.23372(17) 0.0527(7) Uani 1 d .
O1 O 0.1224(4) 1.0792(5) -0.0264(5) 0.072(2) Uani 1 d .
O2 O -0.1514(4) 0.1088(4) 0.3074(5) 0.076(3) Uani 1 d .
N1 N 0.0193(3) 0.6081(4) 0.1196(4) 0.0392(18) Uani 1 d .
N2 N -0.0028(3) 0.5375(4) 0.1481(4) 0.0343(16) Uani 1 d .
N3 N -0.0625(3) 0.4089(4) 0.1880(5) 0.0427(19) Uani 1 d .
N4 N 0.0504(3) 0.7458(4) 0.0492(5) 0.0398(18) Uani 1 d .
C1 C 0.1432(7) 0.6519(8) 0.3194(8) 0.086(4) Uani 1 d .
H1A H 0.1653 0.6172 0.3572 0.130 Uiso 1 calc R
H1B H 0.1094 0.6674 0.3386 0.130 Uiso 1 calc R
H1C H 0.1625 0.7049 0.3088 0.130 Uiso 1 calc R
C2 C 0.1959(5) 0.5611(9) 0.2171(9) 0.083(4) Uani 1 d .
H2A H 0.2172 0.6141 0.2139 0.125 Uiso 1 calc R
H2B H 0.1947 0.5289 0.1696 0.125 Uiso 1 calc R
H2C H 0.2125 0.5249 0.2586 0.125 Uiso 1 calc R
C3 C -0.0787(4) 0.4392(5) 0.1220(5) 0.036(2) Uani 1 d .
C4 C -0.0467(4) 0.5148(5) 0.0986(5) 0.0338(19) Uani 1 d .
C5 C -0.0544(4) 0.5709(6) 0.0366(5) 0.0355(19) Uani 1 d .
C6 C -0.0113(4) 0.6311(5) 0.0520(5) 0.0341(19) Uani 1 d .
C7 C 0.0056(4) 0.7124(6) 0.0172(5) 0.0350(19) Uani 1 d .
C8 C 0.0696(4) 0.8310(6) 0.0254(6) 0.045(2) Uani 1 d .
C9 C 0.0509(7) 0.9063(7) 0.0567(11) 0.112(7) Uani 1 d .
H9 H 0.0234 0.9030 0.0889 0.134 Uiso 1 calc R
C10 C 0.0723(7) 0.9852(7) 0.0408(11) 0.115(7) Uani 1 d .
H10 H 0.0621 1.0351 0.0669 0.138 Uiso 1 calc R
C11 C 0.1070(4) 0.9945(6) -0.0101(7) 0.051(3) Uani 1 d .
C12 C 0.1668(6) 1.0883(8) -0.0669(9) 0.086(4) Uani 1 d .
H12A H 0.1975 1.0562 -0.0411 0.104 Uiso 1 calc R
H12B H 0.1762 1.1499 -0.0697 0.104 Uiso 1 calc R
H12C H 0.1578 1.0652 -0.1179 0.104 Uiso 1 calc R
C13 C 0.1263(8) 0.9234(8) -0.0380(11) 0.121(7) Uani 1 d .
H13 H 0.1543 0.9272 -0.0693 0.145 Uiso 1 calc R
C14 C 0.1049(8) 0.8397(7) -0.0210(10) 0.123(8) Uani 1 d .
H14 H 0.1172 0.7894 -0.0446 0.148 Uiso 1 calc R
C15 C -0.0291(4) 0.7508(7) -0.0488(6) 0.055(3) Uani 1 d .
H15A H -0.0642 0.7660 -0.0337 0.083 Uiso 1 calc R
H15B H -0.0338 0.7084 -0.0900 0.083 Uiso 1 calc R
H15C H -0.0118 0.8031 -0.0658 0.083 Uiso 1 calc R
C16 C -0.0973(5) 0.5712(7) -0.0306(6) 0.055(3) Uani 1 d .
H16A H -0.1181 0.5173 -0.0313 0.082 Uiso 1 calc R
H16B H -0.0803 0.5757 -0.0771 0.082 Uiso 1 calc R
H16C H -0.1212 0.6209 -0.0270 0.082 Uiso 1 calc R
C17 C -0.1249(4) 0.4043(6) 0.0682(6) 0.047(2) Uani 1 d .
H17A H -0.1464 0.3647 0.0953 0.070 Uiso 1 calc R
H17B H -0.1108 0.3729 0.0271 0.070 Uiso 1 calc R
H17C H -0.1474 0.4526 0.0473 0.070 Uiso 1 calc R
C18 C -0.0876(4) 0.3322(6) 0.2186(6) 0.041(2) Uani 1 d .
C19 C -0.1287(5) 0.3387(7) 0.2603(8) 0.074(4) Uani 1 d .
H19 H -0.1428 0.3947 0.2685 0.088 Uiso 1 calc R
C20 C -0.1518(5) 0.2659(7) 0.2928(8) 0.071(4) Uani 1 d .
H20 H -0.1801 0.2729 0.3232 0.085 Uiso 1 calc R
C21 C -0.1322(5) 0.1848(6) 0.2790(6) 0.050(3) Uani 1 d .
C22 C -0.1933(6) 0.1131(8) 0.3522(8) 0.078(4) Uani 1 d .
H22A H -0.1832 0.1519 0.3950 0.116 Uiso 1 calc R
H22B H -0.2005 0.0549 0.3709 0.116 Uiso 1 calc R
H22C H -0.2257 0.1354 0.3221 0.116 Uiso 1 calc R
C23 C -0.0910(8) 0.1781(7) 0.2376(13) 0.147(10) Uani 1 d .
H23 H -0.0769 0.1224 0.2286 0.176 Uiso 1 calc R
C24 C -0.0690(8) 0.2501(8) 0.2080(13) 0.147(10) Uani 1 d .
H24 H -0.0399 0.2428 0.1793 0.176 Uiso 1 calc R
C25 C 0.1578(4) 0.7560(5) 0.1499(6) 0.044(2) Uani 1 d .
C26 C 0.2022(5) 0.7397(8) 0.1133(8) 0.067(3) Uani 1 d .
H26 H 0.2024 0.6894 0.0826 0.080 Uiso 1 calc R
C27 C 0.2469(6) 0.7949(8) 0.1200(10) 0.088(5) Uani 1 d .
H27 H 0.2763 0.7827 0.0927 0.105 Uiso 1 calc R
C28 C 0.2483(5) 0.8671(8) 0.1661(7) 0.066(3) Uani 1 d .
H28 H 0.2789 0.9041 0.1716 0.079 Uiso 1 calc R
C29 C 0.2058(5) 0.8847(8) 0.2034(7) 0.065(3) Uani 1 d .
H29 H 0.2065 0.9347 0.2347 0.078 Uiso 1 calc R
C30 C 0.1602(4) 0.8296(6) 0.1964(6) 0.051(3) Uani 1 d .
H30 H 0.1309 0.8426 0.2236 0.061 Uiso 1 calc R
Pt2 Pt 0.410355(14) 0.30210(2) 0.35531(2) 0.03569(13) Uani 1 d .
Cu2 Cu 0.5000 0.50737(9) 0.2500 0.0405(4) Uani 1 d .
S2 S 0.37869(11) 0.37235(14) 0.24623(16) 0.0474(6) Uani 1 d .
O3 O 0.3634(3) -0.0774(4) 0.5352(5) 0.062(2) Uani 1 d .
O4 O 0.6670(3) 0.8443(5) 0.1697(5) 0.066(2) Uani 1 d .
N5 N 0.4798(3) 0.3793(4) 0.3826(4) 0.0371(17) Uani 1 d .
N6 N 0.5024(3) 0.4481(4) 0.3512(4) 0.0329(16) Uani 1 d .
N7 N 0.5629(3) 0.5751(4) 0.3088(4) 0.0327(16) Uani 1 d .
N8 N 0.4465(3) 0.2462(4) 0.4540(4) 0.0385(17) Uani 1 d .
C31 C 0.3058(5) 0.3816(9) 0.2334(8) 0.073(4) Uani 1 d .
H31A H 0.2942 0.4097 0.1849 0.109 Uiso 1 calc R
H31B H 0.2942 0.4166 0.2743 0.109 Uiso 1 calc R
H31C H 0.2898 0.3236 0.2340 0.109 Uiso 1 calc R
C32 C 0.3884(6) 0.2986(7) 0.1691(7) 0.066(3) Uani 1 d .
H32A H 0.3704 0.2433 0.1764 0.099 Uiso 1 calc R
H32B H 0.4269 0.2883 0.1682 0.099 Uiso 1 calc R
H32C H 0.3732 0.3245 0.1211 0.099 Uiso 1 calc R
C33 C 0.5780(4) 0.5478(5) 0.3764(6) 0.039(2) Uani 1 d .
C34 C 0.5445(4) 0.4759(6) 0.4027(5) 0.037(2) Uani 1 d .
C35 C 0.5492(4) 0.4233(5) 0.4679(5) 0.039(2) Uani 1 d .
C36 C 0.5076(4) 0.3614(5) 0.4519(5) 0.038(2) Uani 1 d .
C37 C 0.4898(4) 0.2842(6) 0.4893(5) 0.037(2) Uani 1 d .
C38 C 0.4260(4) 0.1633(6) 0.4814(6) 0.041(2) Uani 1 d .
C39 C 0.3841(5) 0.1610(6) 0.5247(7) 0.059(3) Uani 1 d .
H39 H 0.3705 0.2137 0.5426 0.071 Uiso 1 calc R
C40 C 0.3614(5) 0.0822(7) 0.5424(7) 0.062(3) Uani 1 d .
H40 H 0.3316 0.0814 0.5705 0.074 Uiso 1 calc R
C41 C 0.3823(4) 0.0050(6) 0.5192(6) 0.044(2) Uani 1 d .
C42 C 0.3180(5) -0.0808(7) 0.5774(8) 0.074(4) Uani 1 d .
H42A H 0.3285 -0.0584 0.6284 0.110 Uiso 1 calc R
H42B H 0.3059 -0.1411 0.5804 0.110 Uiso 1 calc R
H42C H 0.2887 -0.0454 0.5521 0.110 Uiso 1 calc R
C43 C 0.4241(6) 0.0064(7) 0.4747(8) 0.072(4) Uani 1 d .
H43 H 0.4372 -0.0466 0.4567 0.086 Uiso 1 calc R
C44 C 0.4471(5) 0.0847(6) 0.4561(8) 0.070(4) Uani 1 d .
H44 H 0.4765 0.0853 0.4271 0.084 Uiso 1 calc R
C45 C 0.5212(4) 0.2513(6) 0.5615(6) 0.048(2) Uani 1 d .
H45A H 0.5056 0.1964 0.5761 0.072 Uiso 1 calc R
H45B H 0.5195 0.2942 0.6016 0.072 Uiso 1 calc R
H45C H 0.5587 0.2419 0.5534 0.072 Uiso 1 calc R
C46 C 0.5880(4) 0.4297(7) 0.5389(6) 0.051(3) Uani 1 d .
H46A H 0.6078 0.4846 0.5390 0.077 Uiso 1 calc R
H46B H 0.6133 0.3811 0.5411 0.077 Uiso 1 calc R
H46C H 0.5681 0.4277 0.5829 0.077 Uiso 1 calc R
C47 C 0.6250(4) 0.5827(7) 0.4287(6) 0.053(3) Uani 1 d .
H47A H 0.6488 0.5347 0.4467 0.080 Uiso 1 calc R
H47B H 0.6118 0.6115 0.4719 0.080 Uiso 1 calc R
H47C H 0.6449 0.6246 0.4015 0.080 Uiso 1 calc R
C48 C 0.5929(4) 0.6436(5) 0.2754(5) 0.038(2) Uani 1 d .
C49 C 0.5774(6) 0.7309(7) 0.2824(8) 0.072(4) Uani 1 d .
H49 H 0.5493 0.7460 0.3112 0.087 Uiso 1 calc R
C50 C 0.6043(6) 0.7948(6) 0.2458(8) 0.075(4) Uani 1 d .
H50 H 0.5941 0.8537 0.2505 0.090 Uiso 1 calc R
C51 C 0.6449(5) 0.7755(6) 0.2034(6) 0.051(3) Uani 1 d .
C52 C 0.7076(6) 0.8264(8) 0.1219(9) 0.081(4) Uani 1 d .
H52A H 0.7388 0.8000 0.1517 0.122 Uiso 1 calc R
H52B H 0.7185 0.8807 0.0994 0.122 Uiso 1 calc R
H52C H 0.6933 0.7864 0.0818 0.122 Uiso 1 calc R
C53 C 0.6599(4) 0.6896(6) 0.1965(6) 0.047(3) Uani 1 d .
H53 H 0.6884 0.6749 0.1683 0.056 Uiso 1 calc R
C54 C 0.6327(4) 0.6243(6) 0.2317(6) 0.049(3) Uani 1 d .
H54 H 0.6422 0.5653 0.2251 0.058 Uiso 1 calc R
C55 C 0.3454(4) 0.2199(5) 0.3479(5) 0.039(2) Uani 1 d .
C56 C 0.3476(4) 0.1376(6) 0.3141(6) 0.051(3) Uani 1 d .
H56 H 0.3781 0.1214 0.2907 0.061 Uiso 1 calc R
C57 C 0.3036(6) 0.0785(7) 0.3153(8) 0.073(4) Uani 1 d .
H57 H 0.3061 0.0219 0.2948 0.088 Uiso 1 calc R
C58 C 0.2577(5) 0.1024(8) 0.3459(8) 0.068(3) Uani 1 d .
H58 H 0.2281 0.0638 0.3449 0.081 Uiso 1 calc R
C59 C 0.2560(5) 0.1825(8) 0.3774(9) 0.072(4) Uani 1 d .
H59 H 0.2252 0.1988 0.4002 0.087 Uiso 1 calc R
C60 C 0.2987(4) 0.2424(6) 0.3772(7) 0.057(3) Uani 1 d .
H60 H 0.2953 0.2988 0.3975 0.068 Uiso 1 calc R
C61 C 0.0353(10) 0.1621(12) 0.8045(13) 0.143(9) Uani 1 d .
H61 H 0.0589 0.1917 0.8416 0.171 Uiso 1 calc R
C62 C 0.0345(10) 0.0775(12) 0.8021(11) 0.127(7) Uani 1 d .
H62 H 0.0584 0.0460 0.8375 0.152 Uiso 1 calc R
C63 C 0.0000 0.0317(15) 0.7500 0.116(9) Uani 1 d .
H63 H 0.0000 -0.0300 0.7500 0.139 Uiso 1 calc R
C64 C 0.0000 0.2094(14) 0.7500 0.120(12) Uani 1 d .
H64 H 0.0000 0.2711 0.7500 0.144 Uiso 1 calc R
C65 C 0.5000 0.1365(13) 0.2500 0.072(5) Uani 1 d .
H65 H 0.5000 0.1982 0.2500 0.086 Uiso 1 calc R
C66 C 0.4678(6) 0.0920(9) 0.1957(9) 0.075(4) Uani 1 d .
H66 H 0.4447 0.1228 0.1588 0.090 Uiso 1 calc R
C67 C 0.4689(7) 0.0006(9) 0.1946(10) 0.099(5) Uani 1 d .
H67 H 0.4480 -0.0304 0.1555 0.119 Uiso 1 calc R
C68 C 0.5000 -0.0433(15) 0.2500 0.113(9) Uani 1 d .
H68 H 0.5000 -0.1050 0.2500 0.135 Uiso 1 calc R
Cu3 Cu 0.25361(6) 0.59190(9) 0.47631(9) 0.0632(4) Uani 1 d .
Cl1 Cl 0.26610(15) 0.4845(2) 0.4076(2) 0.0830(10) Uani 1 d .
Cl2 Cl 0.24103(19) 0.7014(2) 0.5412(2) 0.0957(12) Uani 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 .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl .1484 .1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu .3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .0060 '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 .1246 .1234 '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
C25 Pt1 N4 95.7(3) . .
C25 Pt1 N1 173.9(3) . .
N4 Pt1 N1 78.2(3) . .
C25 Pt1 S1 91.2(3) . .
N4 Pt1 S1 172.6(2) . .
N1 Pt1 S1 94.9(2) . .
N2 Cu1 N2 125.4(4) . 2
N2 Cu1 N3 130.2(3) . 2
N2 Cu1 N3 79.3(3) 2 2
N2 Cu1 N3 79.3(3) . .
N2 Cu1 N3 130.2(3) 2 .
N3 Cu1 N3 119.9(4) 2 .
C2 S1 C1 100.0(7) . .
C2 S1 Pt1 109.7(5) . .
C1 S1 Pt1 109.2(4) . .
C11 O1 C12 117.0(9) . .
C21 O2 C22 119.3(9) . .
N2 N1 C6 108.8(7) . .
N2 N1 Pt1 137.5(6) . .
C6 N1 Pt1 112.8(5) . .
N1 N2 C4 107.3(7) . .
N1 N2 Cu1 137.3(6) . .
C4 N2 Cu1 113.4(6) . .
C3 N3 C18 121.8(8) . .
C3 N3 Cu1 116.0(6) . .
C18 N3 Cu1 122.2(7) . .
C7 N4 C8 121.2(8) . .
C7 N4 Pt1 117.3(6) . .
C8 N4 Pt1 121.4(6) . .
N3 C3 C4 114.6(8) . .
N3 C3 C17 125.9(8) . .
C4 C3 C17 119.5(8) . .
N2 C4 C5 112.1(8) . .
N2 C4 C3 115.6(8) . .
C5 C4 C3 132.3(8) . .
C4 C5 C6 102.7(7) . .
C4 C5 C16 130.4(8) . .
C6 C5 C16 126.8(8) . .
N1 C6 C5 109.1(7) . .
N1 C6 C7 114.9(8) . .
C5 C6 C7 135.8(8) . .
N4 C7 C6 115.1(7) . .
N4 C7 C15 125.2(8) . .
C6 C7 C15 119.7(8) . .
C14 C8 C9 117.5(10) . .
C14 C8 N4 123.3(9) . .
C9 C8 N4 119.2(9) . .
C10 C9 C8 119.7(12) . .
C11 C10 C9 122.6(12) . .
C13 C11 C10 117.7(10) . .
C13 C11 O1 124.9(11) . .
C10 C11 O1 117.3(10) . .
C11 C13 C14 119.9(12) . .
C8 C14 C13 122.0(11) . .
C19 C18 C24 116.2(10) . .
C19 C18 N3 122.4(8) . .
C24 C18 N3 121.4(9) . .
C18 C19 C20 123.1(10) . .
C21 C20 C19 118.1(11) . .
C23 C21 C20 118.9(10) . .
C23 C21 O2 117.5(9) . .
C20 C21 O2 123.6(10) . .
C21 C23 C24 121.4(11) . .
C18 C24 C23 122.3(12) . .
C26 C25 C30 116.6(9) . .
C26 C25 Pt1 123.3(8) . .
C30 C25 Pt1 120.1(7) . .
C25 C26 C27 122.2(11) . .
C28 C27 C26 120.0(12) . .
C29 C28 C27 119.4(11) . .
C28 C29 C30 120.8(11) . .
C25 C30 C29 120.9(10) . .
C55 Pt2 N8 93.5(3) . .
C55 Pt2 N5 170.1(3) . .
N8 Pt2 N5 77.0(3) . .
C55 Pt2 S2 92.6(3) . .
N8 Pt2 S2 173.9(2) . .
N5 Pt2 S2 97.0(2) . .
N6 Cu2 N6 126.2(4) . 2_655
N6 Cu2 N7 128.4(3) . 2_655
N6 Cu2 N7 80.5(3) 2_655 2_655
N6 Cu2 N7 80.5(3) . .
N6 Cu2 N7 128.4(3) 2_655 .
N7 Cu2 N7 119.4(4) 2_655 .
C31 S2 C32 100.2(6) . .
C31 S2 Pt2 112.7(4) . .
C32 S2 Pt2 106.5(4) . .
C41 O3 C42 116.7(8) . .
C51 O4 C52 117.9(9) . .
N6 N5 C36 109.7(7) . .
N6 N5 Pt2 136.0(6) . .
C36 N5 Pt2 114.1(5) . .
N5 N6 C34 106.9(7) . .
N5 N6 Cu2 139.0(6) . .
C34 N6 Cu2 113.2(5) . .
C33 N7 C48 120.5(8) . .
C33 N7 Cu2 115.5(6) . .
C48 N7 Cu2 123.7(6) . .
C37 N8 C38 121.5(8) . .
C37 N8 Pt2 118.1(6) . .
C38 N8 Pt2 120.4(6) . .
N7 C33 C34 114.9(8) . .
N7 C33 C47 125.6(8) . .
C34 C33 C47 119.6(8) . .
N6 C34 C35 110.7(8) . .
N6 C34 C33 115.6(8) . .
C35 C34 C33 133.4(9) . .
C34 C35 C36 103.4(8) . .
C34 C35 C46 129.7(9) . .
C36 C35 C46 126.9(9) . .
N5 C36 C35 109.2(8) . .
N5 C36 C37 115.3(8) . .
C35 C36 C37 135.5(9) . .
N8 C37 C36 114.9(8) . .
N8 C37 C45 124.6(8) . .
C36 C37 C45 120.5(8) . .
C39 C38 C44 119.8(8) . .
C39 C38 N8 121.7(8) . .
C44 C38 N8 118.3(8) . .
C38 C39 C40 120.6(9) . .
C41 C40 C39 120.2(10) . .
C40 C41 C43 119.8(9) . .
C40 C41 O3 124.8(9) . .
C43 C41 O3 115.4(9) . .
C41 C43 C44 120.8(10) . .
C43 C44 C38 118.8(10) . .
C54 C48 C49 119.0(9) . .
C54 C48 N7 121.4(7) . .
C49 C48 N7 119.4(9) . .
C50 C49 C48 118.5(10) . .
C51 C50 C49 122.5(9) . .
O4 C51 C50 116.2(9) . .
O4 C51 C53 124.9(10) . .
C50 C51 C53 118.9(9) . .
C51 C53 C54 119.5(9) . .
C48 C54 C53 121.7(8) . .
C60 C55 C56 117.7(9) . .
C60 C55 Pt2 121.5(7) . .
C56 C55 Pt2 120.8(7) . .
C55 C56 C57 119.8(10) . .
C58 C57 C56 121.0(10) . .
C59 C58 C57 118.4(11) . .
C58 C59 C60 122.0(12) . .
C55 C60 C59 121.0(10) . .
C62 C61 C64 119(3) . .
C61 C62 C63 123(2) . .
C62 C63 C62 119(2) . 2_556
C61 C64 C61 119(2) . 2_556
C66 C65 C66 119.9(19) 2_655 .
C65 C66 C67 119.9(15) . .
C68 C67 C66 119.8(16) . .
C67 C68 C67 121(2) . 2_655
Cl2 Cu3 Cl1 177.99(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C25 2.025(9) .
Pt1 N4 2.055(8) .
Pt1 N1 2.070(7) .
Pt1 S1 2.262(2) .
Cu1 N2 2.019(7) .
Cu1 N2 2.019(7) 2
Cu1 N3 2.064(8) 2
Cu1 N3 2.064(8) .
S1 C2 1.781(11) .
S1 C1 1.787(14) .
O1 C11 1.386(11) .
O1 C12 1.393(15) .
O2 C21 1.371(11) .
O2 C22 1.383(14) .
N1 N2 1.335(10) .
N1 C6 1.382(11) .
N2 C4 1.358(11) .
N3 C3 1.274(12) .
N3 C18 1.459(11) .
N4 C7 1.292(12) .
N4 C8 1.461(11) .
C3 C4 1.485(12) .
C3 C17 1.497(13) .
C4 C5 1.384(12) .
C5 C6 1.411(12) .
C5 C16 1.495(13) .
C6 C7 1.467(12) .
C7 C15 1.483(13) .
C8 C14 1.277(16) .
C8 C9 1.379(15) .
C9 C10 1.357(16) .
C10 C11 1.326(17) .
C11 C13 1.308(16) .
C13 C14 1.428(17) .
C18 C19 1.331(15) .
C18 C24 1.354(15) .
C19 C20 1.403(15) .
C20 C21 1.362(14) .
C21 C23 1.329(17) .
C23 C24 1.358(17) .
C25 C26 1.364(15) .
C25 C30 1.388(14) .
C26 C27 1.387(16) .
C27 C28 1.369(18) .
C28 C29 1.336(17) .
C29 C30 1.403(14) .
Pt2 C55 2.033(9) .
Pt2 N8 2.049(7) .
Pt2 N5 2.094(7) .
Pt2 S2 2.262(3) .
Cu2 N6 1.998(7) .
Cu2 N6 1.998(7) 2_655
Cu2 N7 2.046(7) 2_655
Cu2 N7 2.046(7) .
S2 C31 1.802(12) .
S2 C32 1.806(12) .
O3 C41 1.382(11) .
O3 C42 1.425(14) .
O4 C51 1.354(11) .
O4 C52 1.417(15) .
N5 N6 1.341(9) .
N5 C36 1.359(12) .
N6 C34 1.366(11) .
N7 C33 1.278(11) .
N7 C48 1.449(11) .
N8 C37 1.311(12) .
N8 C38 1.465(11) .
C33 C34 1.484(12) .
C33 C47 1.497(13) .
C34 C35 1.398(13) .
C35 C36 1.404(12) .
C35 C46 1.490(13) .
C36 C37 1.444(12) .
C37 C45 1.499(13) .
C38 C39 1.365(14) .
C38 C44 1.402(13) .
C39 C40 1.379(14) .
C40 C41 1.367(14) .
C41 C43 1.377(16) .
C43 C44 1.379(14) .
C48 C54 1.357(13) .
C48 C49 1.395(13) .
C49 C50 1.383(15) .
C50 C51 1.359(16) .
C51 C53 1.371(13) .
C53 C54 1.391(13) .
C55 C60 1.369(14) .
C55 C56 1.393(13) .
C56 C57 1.417(14) .
C57 C58 1.369(18) .
C58 C59 1.344(17) .
C59 C60 1.399(15) .
C61 C62 1.29(2) .
C61 C64 1.42(2) .
C62 C63 1.37(2) .
C63 C62 1.37(2) 2_556
C64 C61 1.42(2) 2_556
C65 C66 1.355(17) 2_655
C65 C66 1.355(17) .
C66 C67 1.394(18) .
C67 C68 1.349(18) .
C68 C67 1.349(18) 2_655
Cu3 Cl2 2.070(4) .
Cu3 Cl1 2.083(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_4
C25 Pt1 S1 C2 -48.7(6) . .
N4 Pt1 S1 C2 109.8(18) . .
N1 Pt1 S1 C2 131.3(6) . .
C25 Pt1 S1 C1 60.0(6) . .
N4 Pt1 S1 C1 -141.5(18) . .
N1 Pt1 S1 C1 -120.0(6) . .
C25 Pt1 N1 N2 -178(3) . .
N4 Pt1 N1 N2 178.9(9) . .
S1 Pt1 N1 N2 1.6(8) . .
C25 Pt1 N1 C6 14(4) . .
N4 Pt1 N1 C6 11.1(6) . .
S1 Pt1 N1 C6 -166.1(6) . .
C6 N1 N2 C4 0.8(9) . .
Pt1 N1 N2 C4 -167.2(7) . .
C6 N1 N2 Cu1 -161.0(7) . .
Pt1 N1 N2 Cu1 30.9(13) . .
N2 Cu1 N2 N1 38.7(7) 2 .
N3 Cu1 N2 N1 -68.8(9) 2 .
N3 Cu1 N2 N1 170.9(9) . .
N2 Cu1 N2 C4 -122.3(6) 2 .
N3 Cu1 N2 C4 130.1(6) 2 .
N3 Cu1 N2 C4 9.8(5) . .
N2 Cu1 N3 C3 -7.9(7) . .
N2 Cu1 N3 C3 119.8(7) 2 .
N3 Cu1 N3 C3 -138.4(7) 2 .
N2 Cu1 N3 C18 173.6(7) . .
N2 Cu1 N3 C18 -58.6(8) 2 .
N3 Cu1 N3 C18 43.2(6) 2 .
C25 Pt1 N4 C7 173.0(7) . .
N1 Pt1 N4 C7 -7.3(7) . .
S1 Pt1 N4 C7 15(2) . .
C25 Pt1 N4 C8 -10.9(7) . .
N1 Pt1 N4 C8 168.8(7) . .
S1 Pt1 N4 C8 -169.3(14) . .
C18 N3 C3 C4 -177.1(7) . .
Cu1 N3 C3 C4 4.4(10) . .
C18 N3 C3 C17 1.6(14) . .
Cu1 N3 C3 C17 -176.9(7) . .
N1 N2 C4 C5 -0.4(10) . .
Cu1 N2 C4 C5 166.3(6) . .
N1 N2 C4 C3 -177.4(7) . .
Cu1 N2 C4 C3 -10.7(9) . .
N3 C3 C4 N2 4.2(11) . .
C17 C3 C4 N2 -174.6(8) . .
N3 C3 C4 C5 -172.0(9) . .
C17 C3 C4 C5 9.2(14) . .
N2 C4 C5 C6 -0.2(10) . .
C3 C4 C5 C6 176.2(8) . .
N2 C4 C5 C16 -179.5(10) . .
C3 C4 C5 C16 -3.2(17) . .
N2 N1 C6 C5 -0.9(10) . .
Pt1 N1 C6 C5 170.4(6) . .
N2 N1 C6 C7 175.1(7) . .
Pt1 N1 C6 C7 -13.6(9) . .
C4 C5 C6 N1 0.6(10) . .
C16 C5 C6 N1 -180.0(9) . .
C4 C5 C6 C7 -174.2(10) . .
C16 C5 C6 C7 5.2(17) . .
C8 N4 C7 C6 -174.1(8) . .
Pt1 N4 C7 C6 2.0(10) . .
C8 N4 C7 C15 4.4(14) . .
Pt1 N4 C7 C15 -179.5(8) . .
N1 C6 C7 N4 7.9(12) . .
C5 C6 C7 N4 -177.5(10) . .
N1 C6 C7 C15 -170.7(8) . .
C5 C6 C7 C15 3.9(16) . .
C7 N4 C8 C14 -97.8(17) . .
Pt1 N4 C8 C14 86.3(17) . .
C7 N4 C8 C9 85.3(16) . .
Pt1 N4 C8 C9 -90.7(14) . .
C14 C8 C9 C10 -4(3) . .
N4 C8 C9 C10 173.6(16) . .
C8 C9 C10 C11 7(3) . .
C9 C10 C11 C13 -9(3) . .
C9 C10 C11 O1 174.4(17) . .
C12 O1 C11 C13 -9(2) . .
C12 O1 C11 C10 166.8(15) . .
C10 C11 C13 C14 8(3) . .
O1 C11 C13 C14 -176.0(17) . .
C9 C8 C14 C13 3(3) . .
N4 C8 C14 C13 -174.4(17) . .
C11 C13 C14 C8 -5(3) . .
C3 N3 C18 C19 -91.7(14) . .
Cu1 N3 C18 C19 86.7(13) . .
C3 N3 C18 C24 90.8(17) . .
Cu1 N3 C18 C24 -90.9(16) . .
C24 C18 C19 C20 0(2) . .
N3 C18 C19 C20 -177.2(12) . .
C18 C19 C20 C21 -2(2) . .
C19 C20 C21 C23 2(2) . .
C19 C20 C21 O2 180.0(12) . .
C22 O2 C21 C23 178.6(17) . .
C22 O2 C21 C20 1(2) . .
C20 C21 C23 C24 -1(3) . .
O2 C21 C23 C24 -179(2) . .
C19 C18 C24 C23 1(3) . .
N3 C18 C24 C23 178(2) . .
C21 C23 C24 C18 0(4) . .
N4 Pt1 C25 C26 -91.2(10) . .
N1 Pt1 C25 C26 -94(3) . .
S1 Pt1 C25 C26 86.0(10) . .
N4 Pt1 C25 C30 89.2(8) . .
N1 Pt1 C25 C30 86(4) . .
S1 Pt1 C25 C30 -93.5(8) . .
C30 C25 C26 C27 -2.0(19) . .
Pt1 C25 C26 C27 178.5(11) . .
C25 C26 C27 C28 2(2) . .
C26 C27 C28 C29 -1(2) . .
C27 C28 C29 C30 1(2) . .
C26 C25 C30 C29 1.4(16) . .
Pt1 C25 C30 C29 -179.0(9) . .
C28 C29 C30 C25 -0.8(19) . .
C55 Pt2 S2 C31 35.2(5) . .
N8 Pt2 S2 C31 -152(2) . .
N5 Pt2 S2 C31 -142.2(5) . .
C55 Pt2 S2 C32 -73.7(5) . .
N8 Pt2 S2 C32 99(2) . .
N5 Pt2 S2 C32 108.9(5) . .
C55 Pt2 N5 N6 -164.9(16) . .
N8 Pt2 N5 N6 178.7(9) . .
S2 Pt2 N5 N6 -0.2(8) . .
C55 Pt2 N5 C36 9(2) . .
N8 Pt2 N5 C36 -7.6(6) . .
S2 Pt2 N5 C36 173.5(6) . .
C36 N5 N6 C34 -1.8(10) . .
Pt2 N5 N6 C34 172.1(6) . .
C36 N5 N6 Cu2 166.4(7) . .
Pt2 N5 N6 Cu2 -19.7(13) . .
N6 Cu2 N6 N5 -41.2(8) 2_655 .
N7 Cu2 N6 N5 67.5(9) 2_655 .
N7 Cu2 N6 N5 -172.3(9) . .
N6 Cu2 N6 C34 126.6(6) 2_655 .
N7 Cu2 N6 C34 -124.8(6) 2_655 .
N7 Cu2 N6 C34 -4.6(6) . .
N6 Cu2 N7 C33 5.1(6) . .
N6 Cu2 N7 C33 -124.1(6) 2_655 .
N7 Cu2 N7 C33 134.1(7) 2_655 .
N6 Cu2 N7 C48 178.8(7) . .
N6 Cu2 N7 C48 49.6(8) 2_655 .
N7 Cu2 N7 C48 -52.2(6) 2_655 .
C55 Pt2 N8 C37 -172.3(7) . .
N5 Pt2 N8 C37 4.9(7) . .
S2 Pt2 N8 C37 15(3) . .
C55 Pt2 N8 C38 11.2(7) . .
N5 Pt2 N8 C38 -171.6(7) . .
S2 Pt2 N8 C38 -161.7(17) . .
C48 N7 C33 C34 -178.4(7) . .
Cu2 N7 C33 C34 -4.5(10) . .
C48 N7 C33 C47 2.0(14) . .
Cu2 N7 C33 C47 176.0(8) . .
N5 N6 C34 C35 0.7(10) . .
Cu2 N6 C34 C35 -170.9(6) . .
N5 N6 C34 C33 175.4(7) . .
Cu2 N6 C34 C33 3.7(9) . .
N7 C33 C34 N6 0.5(12) . .
C47 C33 C34 N6 -179.9(8) . .
N7 C33 C34 C35 173.6(9) . .
C47 C33 C34 C35 -6.8(15) . .
N6 C34 C35 C36 0.6(10) . .
C33 C34 C35 C36 -172.7(9) . .
N6 C34 C35 C46 -178.7(9) . .
C33 C34 C35 C46 7.9(17) . .
N6 N5 C36 C35 2.3(10) . .
Pt2 N5 C36 C35 -173.1(6) . .
N6 N5 C36 C37 -175.4(7) . .
Pt2 N5 C36 C37 9.3(10) . .
C34 C35 C36 N5 -1.7(10) . .
C46 C35 C36 N5 177.6(9) . .
C34 C35 C36 C37 175.2(10) . .
C46 C35 C36 C37 -5.4(18) . .
C38 N8 C37 C36 175.0(8) . .
Pt2 N8 C37 C36 -1.4(11) . .
C38 N8 C37 C45 -3.0(14) . .
Pt2 N8 C37 C45 -179.5(7) . .
N5 C36 C37 N8 -5.3(12) . .
C35 C36 C37 N8 177.8(10) . .
N5 C36 C37 C45 172.8(9) . .
C35 C36 C37 C45 -4.0(17) . .
C37 N8 C38 C39 98.6(13) . .
Pt2 N8 C38 C39 -85.1(12) . .
C37 N8 C38 C44 -87.3(13) . .
Pt2 N8 C38 C44 89.0(12) . .
C44 C38 C39 C40 -1(2) . .
N8 C38 C39 C40 172.5(11) . .
C38 C39 C40 C41 3(2) . .
C39 C40 C41 C43 -3(2) . .
C39 C40 C41 O3 178.6(12) . .
C42 O3 C41 C40 1.6(17) . .
C42 O3 C41 C43 -176.4(12) . .
C40 C41 C43 C44 3(2) . .
O3 C41 C43 C44 -178.7(12) . .
C41 C43 C44 C38 -2(2) . .
C39 C38 C44 C43 1(2) . .
N8 C38 C44 C43 -173.0(12) . .
C33 N7 C48 C54 93.5(11) . .
Cu2 N7 C48 C54 -79.9(11) . .
C33 N7 C48 C49 -92.4(12) . .
Cu2 N7 C48 C49 94.2(10) . .
C54 C48 C49 C50 -1.5(19) . .
N7 C48 C49 C50 -175.8(12) . .
C48 C49 C50 C51 0(2) . .
C52 O4 C51 C50 -177.0(13) . .
C52 O4 C51 C53 2.1(18) . .
C49 C50 C51 O4 178.9(13) . .
C49 C50 C51 C53 0(2) . .
O4 C51 C53 C54 -177.7(11) . .
C50 C51 C53 C54 1.3(19) . .
C49 C48 C54 C53 2.7(17) . .
N7 C48 C54 C53 176.8(10) . .
C51 C53 C54 C48 -2.7(18) . .
N8 Pt2 C55 C60 93.6(9) . .
N5 Pt2 C55 C60 78(2) . .
S2 Pt2 C55 C60 -87.2(9) . .
N8 Pt2 C55 C56 -84.8(8) . .
N5 Pt2 C55 C56 -100.8(19) . .
S2 Pt2 C55 C56 94.4(8) . .
C60 C55 C56 C57 -3.9(16) . .
Pt2 C55 C56 C57 174.6(9) . .
C55 C56 C57 C58 3.2(19) . .
C56 C57 C58 C59 -2(2) . .
C57 C58 C59 C60 2(2) . .
C56 C55 C60 C59 3.8(18) . .
Pt2 C55 C60 C59 -174.6(10) . .
C58 C59 C60 C55 -3(2) . .
C64 C61 C62 C63 -1(3) . .
C61 C62 C63 C62 0.7(14) . 2_556
C62 C61 C64 C61 0.7(13) . 2_556
C66 C65 C66 C67 -1.7(11) 2_655 .
C65 C66 C67 C68 3(2) . .
C66 C67 C68 C67 -1.7(11) . 2_655
