#------------------------------------------------------------------------------
#$Date: 2019-11-23 04:47:51 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232160 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/70/4347087.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_4347087
loop_
_publ_author_name
'Sivchik, Vasily V.'
'Grachova, Elena V.'
'Melnikov, Alexei S.'
'Smirnov, Sergey N.'
'Ivanov, Alexander Yu'
'Hirva, Pipsa'
'Tunik, Sergey P.'
'Koshevoy, Igor O.'
_publ_section_title
;
 Solid-State and Solution Metallophilic Aggregation of a Cationic
 [Pt(NCN)L](+) Cyclometalated Complex.
;
_journal_issue                   7
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3351
_journal_page_last               3363
_journal_paper_doi               10.1021/acs.inorgchem.5b02713
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         '2(C18 H14 N3 Pt), 2(C F3 O3 S), C2 H3 N'
_chemical_formula_sum            'C40 H31 F6 N7 O6 Pt2 S2'
_chemical_formula_weight         1274.02
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_cell_angle_alpha                90
_cell_angle_beta                 122.309(12)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   31.635(5)
_cell_length_b                   15.744(2)
_cell_length_c                   19.281(4)
_cell_measurement_reflns_used    9139
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      43.02
_cell_measurement_theta_min      2.54
_cell_volume                     8116(3)
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_molecular_graphics    'Diamond v.4.01 (Brandenburg, 2014)'
_computing_publication_material  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device
'62mm x 62mm CCD camera on three-circle goniostat'
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'φ scans and ω scans'
_diffrn_radiation_monochromator  'flat graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_unetI/netI     0.0319
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       63
_diffrn_reflns_limit_h_min       -62
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            230835
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         45.519
_diffrn_reflns_theta_min         1.523
_exptl_absorpt_coefficient_mu    7.075
_exptl_absorpt_correction_T_max  0.332
_exptl_absorpt_correction_T_min  0.153
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.085
_exptl_crystal_description       block
_exptl_crystal_F_000             4880
_exptl_crystal_size_max          0.424
_exptl_crystal_size_mid          0.319
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.957
_refine_diff_density_min         -2.348
_refine_diff_density_rms         0.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     571
_refine_ls_number_reflns         34019
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0609
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0221P)²+11.6566P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0556
_refine_ls_wR_factor_ref         0.0662
_reflns_Friedel_coverage         0.000
_reflns_number_gt                22580
_reflns_number_total             34019
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic5b02713_si_002.cif
_cod_data_source_block           2TFL120
_cod_original_cell_volume        8117(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4347087
_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   0.153
_shelx_estimated_absorpt_t_max   0.332
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
C1 C 0.17898(5) 0.29416(9) 0.00500(9) 0.0171(2) Uani 1 1 d . .
C2 C 0.17074(6) 0.23607(9) 0.05086(9) 0.0181(2) Uani 1 1 d . .
C3 C 0.16163(6) 0.26655(11) 0.10978(10) 0.0228(3) Uani 1 1 d . .
H5 H 0.1561 0.2284 0.1423 0.027 Uiso 1 1 calc R U
C4 C 0.16077(7) 0.35415(11) 0.11986(11) 0.0255(3) Uani 1 1 d . .
H4 H 0.1548 0.3751 0.1601 0.031 Uiso 1 1 calc R U
C5 C 0.16843(6) 0.41198(11) 0.07288(11) 0.0235(3) Uani 1 1 d . .
H3 H 0.1674 0.4713 0.0807 0.028 Uiso 1 1 calc R U
C6 C 0.17758(6) 0.38166(9) 0.01428(9) 0.0183(2) Uani 1 1 d . .
C7 C 0.18566(6) 0.06247(10) -0.05826(10) 0.0225(3) Uani 1 1 d . .
H9 H 0.1942 0.0573 -0.0984 0.027 Uiso 1 1 calc R U
C8 C 0.17618(7) -0.01016(11) -0.02863(12) 0.0282(3) Uani 1 1 d . .
H10 H 0.1779 -0.0644 -0.0485 0.034 Uiso 1 1 calc R U
C9 C 0.16416(7) -0.00292(11) 0.03036(11) 0.0284(3) Uani 1 1 d . .
H11 H 0.1567 -0.0522 0.0503 0.034 Uiso 1 1 calc R U
C10 C 0.16304(6) 0.07648(10) 0.06022(10) 0.0237(3) Uani 1 1 d . .
H12 H 0.1560 0.0819 0.1022 0.028 Uiso 1 1 calc R U
C11 C 0.17224(6) 0.14796(10) 0.02820(9) 0.0195(2) Uani 1 1 d . .
C12 C 0.20439(6) 0.41588(12) -0.14535(10) 0.0248(3) Uani 1 1 d . .
H16 H 0.2118 0.3810 -0.1777 0.030 Uiso 1 1 calc R U
C13 C 0.20331(8) 0.50268(13) -0.15470(12) 0.0316(4) Uani 1 1 d . .
H15 H 0.2095 0.5273 -0.1934 0.038 Uiso 1 1 calc R U
C14 C 0.19306(8) 0.55374(12) -0.10667(12) 0.0319(4) Uani 1 1 d . .
H14 H 0.1917 0.6137 -0.1128 0.038 Uiso 1 1 calc R U
C15 C 0.18492(7) 0.51678(11) -0.05014(12) 0.0264(3) Uani 1 1 d . .
H13 H 0.1785 0.5514 -0.0164 0.032 Uiso 1 1 calc R U
C16 C 0.18613(6) 0.42926(10) -0.04231(10) 0.0200(3) Uani 1 1 d . .
C17 C 0.20620(6) 0.17367(11) -0.21588(10) 0.0235(3) Uani 1 1 d . .
C18 C 0.20823(8) 0.13364(14) -0.28161(12) 0.0325(4) Uani 1 1 d . .
H18A H 0.2049 0.0720 -0.2792 0.049 Uiso 1 1 calc R U
H18B H 0.2403 0.1467 -0.2756 0.049 Uiso 1 1 calc R U
H18C H 0.1809 0.1552 -0.3345 0.049 Uiso 1 1 calc R U
C19 C 0.44522(6) 0.30607(10) 0.14068(11) 0.0253(3) Uani 1 1 d . .
C20 C 0.44590(7) 0.39456(11) 0.14430(13) 0.0312(4) Uani 1 1 d . .
C21 C 0.45726(7) 0.44014(14) 0.09429(15) 0.0418(6) Uani 1 1 d . .
H27 H 0.4581 0.5005 0.0957 0.050 Uiso 1 1 calc R U
C22 C 0.46737(8) 0.39627(18) 0.04249(16) 0.0478(6) Uani 1 1 d . .
H28 H 0.4746 0.4275 0.0079 0.057 Uiso 1 1 calc R U
C23 C 0.46723(8) 0.30792(17) 0.03942(14) 0.0404(5) Uani 1 1 d . .
H29 H 0.4746 0.2793 0.0038 0.048 Uiso 1 1 calc R U
C24 C 0.45603(6) 0.26200(13) 0.08966(12) 0.0296(3) Uani 1 1 d . .
C25 C 0.41476(7) 0.38483(13) 0.30050(14) 0.0351(4) Uani 1 1 d . .
H32 H 0.4086 0.3408 0.3277 0.042 Uiso 1 1 calc R U
C26 C 0.41326(8) 0.46787(15) 0.32163(18) 0.0494(7) Uani 1 1 d . .
H33 H 0.4057 0.4811 0.3619 0.059 Uiso 1 1 calc R U
C27 C 0.42305(9) 0.53167(15) 0.2826(2) 0.0583(8) Uani 1 1 d . .
H34 H 0.4221 0.5895 0.2959 0.070 Uiso 1 1 calc R U
C28 C 0.43413(8) 0.51107(12) 0.22467(17) 0.0458(6) Uani 1 1 d . .
H35 H 0.4414 0.5547 0.1985 0.055 Uiso 1 1 calc R U
C29 C 0.43468(7) 0.42639(11) 0.20426(14) 0.0320(4) Uani 1 1 d . .
C30 C 0.44023(7) 0.06312(11) 0.16806(13) 0.0323(4) Uani 1 1 d . .
H23 H 0.4309 0.0465 0.2055 0.039 Uiso 1 1 calc R U
C31 C 0.45209(8) 0.00089(13) 0.13011(16) 0.0425(6) Uani 1 1 d . .
H22 H 0.4509 -0.0575 0.1414 0.051 Uiso 1 1 calc R U
C32 C 0.46566(8) 0.02472(16) 0.07585(16) 0.0460(6) Uani 1 1 d . .
H21 H 0.4741 -0.0171 0.0498 0.055 Uiso 1 1 calc R U
C33 C 0.46688(8) 0.10973(16) 0.05957(15) 0.0406(5) Uani 1 1 d . .
H20 H 0.4760 0.1266 0.0220 0.049 Uiso 1 1 calc R U
C34 C 0.45480(6) 0.17022(12) 0.09824(12) 0.0291(3) Uani 1 1 d . .
C35 C 0.39804(7) 0.14119(11) 0.32017(11) 0.0280(3) Uani 1 1 d . .
C36 C 0.38193(8) 0.09483(13) 0.36723(12) 0.0342(4) Uani 1 1 d . .
H37A H 0.3467 0.1074 0.3457 0.051 Uiso 1 1 calc R U
H37B H 0.4022 0.1121 0.4249 0.051 Uiso 1 1 calc R U
H37C H 0.3860 0.0337 0.3629 0.051 Uiso 1 1 calc R U
C37 C 0.23377(10) 0.19832(14) 0.36890(15) 0.0397(5) Uani 1 1 d . .
C38 C 0.41388(9) 0.25186(13) 0.58685(16) 0.0376(4) Uani 1 1 d . .
C39 C 0.42243(8) -0.13936(14) 0.29976(13) 0.0335(4) Uani 1 1 d . .
C40 C 0.42206(8) -0.23144(13) 0.30289(14) 0.0347(4) Uani 1 1 d . .
H40A H 0.4254 -0.2495 0.3542 0.052 Uiso 1 1 calc R U
H40B H 0.4501 -0.2541 0.3004 0.052 Uiso 1 1 calc R U
H40C H 0.3905 -0.2529 0.2562 0.052 Uiso 1 1 calc R U
N1 N 0.18315(5) 0.13991(8) -0.03210(8) 0.0186(2) Uani 1 1 d . .
N2 N 0.19526(5) 0.37901(8) -0.09151(8) 0.0194(2) Uani 1 1 d . .
N3 N 0.20309(5) 0.20453(10) -0.16524(9) 0.0229(2) Uani 1 1 d . .
N4 N 0.42453(5) 0.36383(9) 0.24312(10) 0.0274(3) Uani 1 1 d . .
N5 N 0.44158(5) 0.14589(9) 0.15336(10) 0.0256(3) Uani 1 1 d . .
N6 N 0.41026(6) 0.17684(10) 0.28226(10) 0.0273(3) Uani 1 1 d . .
N7 N 0.42198(9) -0.06743(14) 0.29706(16) 0.0534(6) Uani 1 1 d . .
O1 O 0.23895(8) 0.03824(11) 0.35273(11) 0.0550(5) Uani 1 1 d . .
O2 O 0.25657(7) 0.13464(15) 0.27192(12) 0.0551(5) Uani 1 1 d . .
O3 O 0.17228(6) 0.11630(11) 0.23986(9) 0.0396(3) Uani 1 1 d . .
O4 O 0.39644(7) 0.29930(12) 0.44641(11) 0.0497(4) Uani 1 1 d . .
O5 O 0.47184(7) 0.34940(10) 0.56883(12) 0.0483(4) Uani 1 1 d . .
O6 O 0.46517(6) 0.20240(9) 0.52787(10) 0.0361(3) Uani 1 1 d . .
F1 F 0.20804(9) 0.18754(11) 0.40456(12) 0.0753(6) Uani 1 1 d . .
F2 F 0.21749(8) 0.27136(9) 0.32732(13) 0.0640(5) Uani 1 1 d . .
F3 F 0.28111(8) 0.20831(15) 0.42719(12) 0.0815(6) Uani 1 1 d . .
F4 F 0.38792(7) 0.31547(11) 0.59167(12) 0.0649(5) Uani 1 1 d . .
F5 F 0.45040(8) 0.23180(12) 0.66314(10) 0.0636(5) Uani 1 1 d . .
F6 F 0.38391(6) 0.18502(10) 0.55712(12) 0.0578(4) Uani 1 1 d . .
S1 S 0.22465(2) 0.11172(3) 0.30068(3) 0.02792(8) Uani 1 1 d . .
S2 S 0.43964(2) 0.27931(3) 0.52508(3) 0.02937(9) Uani 1 1 d . .
Pt1 Pt 0.19207(2) 0.25223(2) -0.07475(2) 0.01601(1) Uani 1 1 d . .
Pt2 Pt 0.42862(2) 0.24422(2) 0.20807(2) 0.02046(1) 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'
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'
S S 0.1246 0.1234 '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_3
C2 C1 C6 122.65(14) .
C2 C1 Pt1 118.64(11) .
C6 C1 Pt1 118.71(11) .
C1 C2 C3 118.76(14) .
C1 C2 C11 112.76(13) .
C3 C2 C11 128.47(14) .
C4 C3 C2 118.71(15) .
C4 C3 H5 120.6 .
C2 C3 H5 120.6 .
C5 C4 C3 122.15(15) .
C5 C4 H4 118.9 .
C3 C4 H4 118.9 .
C6 C5 C4 119.16(15) .
C6 C5 H3 120.4 .
C4 C5 H3 120.4 .
C5 C6 C1 118.56(14) .
C5 C6 C16 129.13(14) .
C1 C6 C16 112.32(13) .
N1 C7 C8 121.93(17) .
N1 C7 H9 119.0 .
C8 C7 H9 119.0 .
C7 C8 C9 119.19(16) .
C7 C8 H10 120.4 .
C9 C8 H10 120.4 .
C8 C9 C10 119.71(16) .
C8 C9 H11 120.1 .
C10 C9 H11 120.1 .
C9 C10 C11 119.30(16) .
C9 C10 H12 120.4 .
C11 C10 H12 120.4 .
N1 C11 C10 120.35(15) .
N1 C11 C2 113.59(13) .
C10 C11 C2 126.04(15) .
N2 C12 C13 121.85(18) .
N2 C12 H16 119.1 .
C13 C12 H16 119.1 .
C12 C13 C14 119.05(17) .
C12 C13 H15 120.5 .
C14 C13 H15 120.5 .
C15 C14 C13 119.50(17) .
C15 C14 H14 120.2 .
C13 C14 H14 120.2 .
C14 C15 C16 120.10(18) .
C14 C15 H13 119.9 .
C16 C15 H13 119.9 .
N2 C16 C15 119.97(16) .
N2 C16 C6 114.15(13) .
C15 C16 C6 125.87(16) .
N3 C17 C18 177.91(19) .
C17 C18 H18A 109.5 .
C17 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C17 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C24 C19 C20 122.13(18) .
C24 C19 Pt2 119.30(13) .
C20 C19 Pt2 118.57(16) .
C21 C20 C19 118.8(2) .
C21 C20 C29 129.01(19) .
C19 C20 C29 112.15(17) .
C22 C21 C20 119.1(2) .
C22 C21 H27 120.5 .
C20 C21 H27 120.5 .
C21 C22 C23 122.1(2) .
C21 C22 H28 118.9 .
C23 C22 H28 118.9 .
C22 C23 C24 118.9(2) .
C22 C23 H29 120.5 .
C24 C23 H29 120.5 .
C19 C24 C23 118.8(2) .
C19 C24 C34 112.55(17) .
C23 C24 C34 128.6(2) .
N4 C25 C26 122.5(2) .
N4 C25 H32 118.7 .
C26 C25 H32 118.7 .
C25 C26 C27 118.3(3) .
C25 C26 H33 120.8 .
C27 C26 H33 120.8 .
C28 C27 C26 119.8(2) .
C28 C27 H34 120.1 .
C26 C27 H34 120.1 .
C27 C28 C29 120.1(2) .
C27 C28 H35 119.9 .
C29 C28 H35 119.9 .
N4 C29 C28 119.3(2) .
N4 C29 C20 114.20(15) .
C28 C29 C20 126.5(2) .
N5 C30 C31 121.8(2) .
N5 C30 H23 119.1 .
C31 C30 H23 119.1 .
C32 C31 C30 119.3(2) .
C32 C31 H22 120.4 .
C30 C31 H22 120.4 .
C31 C32 C33 119.6(2) .
C31 C32 H21 120.2 .
C33 C32 H21 120.2 .
C32 C33 C34 119.7(2) .
C32 C33 H20 120.1 .
C34 C33 H20 120.1 .
C33 C34 N5 120.39(19) .
C33 C34 C24 126.1(2) .
N5 C34 C24 113.45(17) .
N6 C35 C36 179.0(2) .
C35 C36 H37A 109.5 .
C35 C36 H37B 109.5 .
H37A C36 H37B 109.5 .
C35 C36 H37C 109.5 .
H37A C36 H37C 109.5 .
H37B C36 H37C 109.5 .
F3 C37 F1 107.8(2) .
F3 C37 F2 107.9(2) .
F1 C37 F2 105.9(2) .
F3 C37 S1 112.19(18) .
F1 C37 S1 112.14(16) .
F2 C37 S1 110.60(17) .
F6 C38 F4 107.6(2) .
F6 C38 F5 106.66(19) .
F4 C38 F5 107.7(2) .
F6 C38 S2 111.90(17) .
F4 C38 S2 112.12(16) .
F5 C38 S2 110.55(18) .
N7 C39 C40 178.9(2) .
C39 C40 H40A 109.5 .
C39 C40 H40B 109.5 .
H40A C40 H40B 109.5 .
C39 C40 H40C 109.5 .
H40A C40 H40C 109.5 .
H40B C40 H40C 109.5 .
C7 N1 C11 119.47(14) .
C7 N1 Pt1 126.24(12) .
C11 N1 Pt1 114.27(10) .
C12 N2 C16 119.49(14) .
C12 N2 Pt1 126.46(12) .
C16 N2 Pt1 114.04(10) .
C17 N3 Pt1 174.40(14) .
C25 N4 C29 119.82(17) .
C25 N4 Pt2 126.03(14) .
C29 N4 Pt2 114.11(14) .
C30 N5 C34 119.18(18) .
C30 N5 Pt2 126.33(15) .
C34 N5 Pt2 114.44(12) .
C35 N6 Pt2 176.85(15) .
O3 S1 O2 114.61(10) .
O3 S1 O1 114.04(11) .
O2 S1 O1 116.66(13) .
O3 S1 C37 102.88(11) .
O2 S1 C37 102.71(11) .
O1 S1 C37 103.35(11) .
O5 S2 O4 115.49(12) .
O5 S2 O6 114.69(10) .
O4 S2 O6 115.02(11) .
O5 S2 C38 102.96(12) .
O4 S2 C38 103.77(12) .
O6 S2 C38 102.38(10) .
C1 Pt1 N1 80.70(6) .
C1 Pt1 N2 80.75(6) .
N1 Pt1 N2 161.43(5) .
C1 Pt1 N3 177.45(6) .
N1 Pt1 N3 98.40(6) .
N2 Pt1 N3 100.09(6) .
C1 Pt1 Pt1 85.42(5) 7
N1 Pt1 Pt1 87.52(4) 7
N2 Pt1 Pt1 91.95(4) 7
N3 Pt1 Pt1 96.94(4) 7
C19 Pt2 N4 80.96(8) .
C19 Pt2 N5 80.22(7) .
N4 Pt2 N5 161.02(7) .
C19 Pt2 N6 179.71(7) .
N4 Pt2 N6 98.76(7) .
N5 Pt2 N6 100.07(6) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.390(2) .
C1 C6 1.393(2) .
C1 Pt1 1.9111(15) .
C2 C3 1.398(2) .
C2 C11 1.463(2) .
C3 C4 1.395(2) .
C3 H5 0.9500 .
C4 C5 1.394(2) .
C4 H4 0.9500 .
C5 C6 1.392(2) .
C5 H3 0.9500 .
C6 C16 1.463(2) .
C7 N1 1.338(2) .
C7 C8 1.381(3) .
C7 H9 0.9500 .
C8 C9 1.383(3) .
C8 H10 0.9500 .
C9 C10 1.385(2) .
C9 H11 0.9500 .
C10 C11 1.387(2) .
C10 H12 0.9500 .
C11 N1 1.384(2) .
C12 N2 1.348(2) .
C12 C13 1.377(3) .
C12 H16 0.9500 .
C13 C14 1.389(3) .
C13 H15 0.9500 .
C14 C15 1.376(3) .
C14 H14 0.9500 .
C15 C16 1.385(2) .
C15 H13 0.9500 .
C16 N2 1.379(2) .
C17 N3 1.141(2) .
C17 C18 1.447(2) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C24 1.388(3) .
C19 C20 1.395(2) .
C19 Pt2 1.9084(18) .
C20 C21 1.394(3) .
C20 C29 1.467(3) .
C21 C22 1.385(4) .
C21 H27 0.9500 .
C22 C23 1.392(4) .
C22 H28 0.9500 .
C23 C24 1.397(3) .
C23 H29 0.9500 .
C24 C34 1.457(3) .
C25 N4 1.340(3) .
C25 C26 1.378(3) .
C25 H32 0.9500 .
C26 C27 1.385(4) .
C26 H33 0.9500 .
C27 C28 1.377(4) .
C27 H34 0.9500 .
C28 C29 1.393(3) .
C28 H35 0.9500 .
C29 N4 1.375(3) .
C30 N5 1.339(2) .
C30 C31 1.389(3) .
C30 H23 0.9500 .
C31 C32 1.378(4) .
C31 H22 0.9500 .
C32 C33 1.380(4) .
C32 H21 0.9500 .
C33 C34 1.383(3) .
C33 H20 0.9500 .
C34 N5 1.388(3) .
C35 N6 1.141(2) .
C35 C36 1.453(3) .
C36 H37A 0.9800 .
C36 H37B 0.9800 .
C36 H37C 0.9800 .
C37 F3 1.316(3) .
C37 F1 1.327(3) .
C37 F2 1.338(3) .
C37 S1 1.807(2) .
C38 F6 1.325(3) .
C38 F4 1.330(2) .
C38 F5 1.335(3) .
C38 S2 1.818(3) .
C39 N7 1.133(3) .
C39 C40 1.451(3) .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
N1 Pt1 2.0326(13) .
N2 Pt1 2.0332(13) .
N3 Pt1 2.0929(15) .
N4 Pt2 2.0282(15) .
N5 Pt2 2.0347(16) .
N6 Pt2 2.0968(16) .
O1 S1 1.4370(17) .
O2 S1 1.4338(18) .
O3 S1 1.4311(16) .
O4 S2 1.4323(17) .
O5 S2 1.4313(16) .
O6 S2 1.4405(15) .
Pt1 Pt1 3.2336(7) 7
