#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/42/4104223.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_4104223
loop_
_publ_author_name
'Marc-Etienne Moret'
'Peter Chen'
_publ_contact_author_email       schweizer@org.chem.ethz.ch
_publ_contact_author_name        'B. Schweizer'
_publ_section_title
;
 Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal
 Triflates
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5675
_journal_page_last               5690
_journal_paper_doi               10.1021/ja900449y
_journal_volume                  131
_journal_year                    2009
_chemical_compound_source        'LOC ETH Zurich'
_chemical_formula_moiety         'C57 H44 Cl8 Cu F3 N4 O3 Pt2 S '
_chemical_formula_sum            'C57 H44 Cl8 Cu F3 N4 O3 Pt2 S'
_chemical_formula_weight         1659.406
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           maXus
_cell_angle_alpha                90.00
_cell_angle_beta                 110.0366(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.8903(4)
_cell_length_b                   18.8114(5)
_cell_length_c                   17.0905(3)
_cell_measurement_reflns_used    11606
_cell_measurement_temperature    203
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.425
_cell_volume                     6007.6(2)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       KappaCCD
_computing_data_reduction
'Denzo and Scalepak (Otwinowski & Minor, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
'SIR97(Altomare et al., J. Appl. Cryst.,1999)'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       KappaCCD
_diffrn_measurement_method       CCD
_diffrn_orient_matrix_type       X=UH
_diffrn_orient_matrix_UB_11      -0.00787
_diffrn_orient_matrix_UB_12      -0.04890
_diffrn_orient_matrix_UB_13      -0.02027
_diffrn_orient_matrix_UB_21      -0.00786
_diffrn_orient_matrix_UB_22      -0.01905
_diffrn_orient_matrix_UB_23      0.04900
_diffrn_orient_matrix_UB_31      -0.06036
_diffrn_orient_matrix_UB_32      -0.00829
_diffrn_orient_matrix_UB_33      -0.01291
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           ' MoK\a'
_diffrn_radiation_wavelength_id  all
_diffrn_reflns_av_R_equivalents  0.074
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18502
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         2.54
_exptl_absorpt_coefficient_mu    5.443
_exptl_absorpt_correction_T_max  0.601
_exptl_absorpt_correction_T_min  0.449
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.835
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Cube
_exptl_crystal_F_000             3208.0
_exptl_crystal_size_max          .2
_exptl_crystal_size_mid          .14
_exptl_crystal_size_min          .1
_refine_diff_density_max         1.069
_refine_diff_density_min         -1.711
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.860
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         6866
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      0.860
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+ (0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1085
_refine_ls_wR_factor_ref         0.1218
_reflns_number_gt                5768
_reflns_number_total             6866
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja900449y_si_004.cif
_cod_data_source_block           global
_cod_original_sg_symbol_H-M      'C 2/c         '
_cod_original_formula_sum        'C57 H44 Cl8 Cu F3 N4 O3 Pt2 S '
_cod_database_code               4104223
loop_
_symmetry_equiv_pos_as_xyz
+X,+Y,+Z
-X,-Y,-Z
'-X+ 1/2,-Y+ 1/2,-Z'
'+X+ 1/2,+Y+ 1/2,+Z'
'-X,+Y,-Z+ 1/2'
'+X,-Y,+Z+ 1/2'
'+X+ 1/2,-Y+ 1/2,+Z+ 1/2'
'-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pt1 Pt 0.130869(9) 0.378113(9) 0.250818(9) 0.02146(9) Uani 1 1 d .
Cu1 Cu 0.0000 0.42185(5) 0.2500 0.0318(2) Uani 1 2 d S
Cl8 Cl 0.27540(8) 0.51335(9) 0.27227(10) 0.0497(4) Uani 1 1 d .
Cl9 Cl 0.25593(9) 0.34036(9) 0.51477(9) 0.0467(4) Uani 1 1 d .
Cl21 Cl 0.18641(10) 0.31314(10) 0.05788(10) 0.0542(4) Uani 1 1 d .
Cl22 Cl 0.10551(9) 0.16668(9) 0.28104(9) 0.0476(4) Uani 1 1 d .
N1 N 0.2358(2) 0.3789(2) 0.3377(3) 0.0261(9) Uani 1 1 d .
N14 N 0.1777(2) 0.2860(2) 0.2254(2) 0.0256(8) Uani 1 1 d .
C2 C 0.2633(3) 0.4346(3) 0.3977(3) 0.0289(10) Uani 1 1 d .
C3 C 0.2792(3) 0.5006(3) 0.3749(3) 0.0358(12) Uani 1 1 d .
C4 C 0.2992(3) 0.5563(4) 0.4305(4) 0.0499(16) Uani 1 1 d .
C5 C 0.3064(4) 0.5446(4) 0.5118(5) 0.062(2) Uani 1 1 d .
C6 C 0.2936(3) 0.4789(4) 0.5387(4) 0.0492(16) Uani 1 1 d .
C7 C 0.2719(3) 0.4245(3) 0.4815(3) 0.0353(12) Uani 1 1 d .
C10 C 0.2783(3) 0.3294(3) 0.3311(3) 0.0305(11) Uani 1 1 d .
C11 C 0.3565(3) 0.3261(4) 0.3801(4) 0.0456(15) Uani 1 1 d .
C12 C 0.2446(3) 0.2749(3) 0.2667(3) 0.0307(11) Uani 1 1 d .
C13 C 0.2874(3) 0.2138(4) 0.2533(4) 0.0497(16) Uani 1 1 d .
C15 C 0.1377(3) 0.2371(3) 0.1611(3) 0.0305(11) Uani 1 1 d .
C16 C 0.1337(3) 0.2491(3) 0.0796(3) 0.0374(13) Uani 1 1 d .
C17 C 0.0865(4) 0.2090(4) 0.0149(3) 0.0502(17) Uani 1 1 d .
C18 C 0.0470(4) 0.1555(4) 0.0341(4) 0.056(2) Uani 1 1 d .
C19 C 0.0525(3) 0.1416(4) 0.1148(4) 0.0449(14) Uani 1 1 d .
C20 C 0.0987(3) 0.1826(3) 0.1787(3) 0.0365(12) Uani 1 1 d .
C23 C 0.1021(2) 0.4732(3) 0.2864(3) 0.0230(9) Uani 1 1 d .
C24 C 0.1095(3) 0.4848(3) 0.3708(3) 0.0298(10) Uani 1 1 d .
C25 C 0.1068(3) 0.5528(3) 0.4010(3) 0.0360(12) Uani 1 1 d .
C26 C 0.0940(3) 0.6110(3) 0.3499(4) 0.0404(13) Uani 1 1 d .
C27 C 0.0853(3) 0.6010(3) 0.2661(4) 0.0343(11) Uani 1 1 d .
C28 C 0.0884(3) 0.5337(3) 0.2350(3) 0.0259(10) Uani 1 1 d .
C29 C 0.0677(3) 0.3475(3) 0.5048(3) 0.0395(13) Uani 1 1 d .
C30 C 0.0165(3) 0.3993(3) 0.4974(3) 0.0341(12) Uani 1 1 d .
C31 C -0.0361(3) 0.4099(3) 0.4208(3) 0.0300(11) Uani 1 1 d .
C32 C -0.0406(3) 0.3697(3) 0.3497(3) 0.0249(10) Uani 1 1 d .
C33 C 0.0119(3) 0.3170(3) 0.3602(3) 0.0264(10) Uani 1 1 d .
C34 C 0.0663(3) 0.3068(3) 0.4374(3) 0.0346(12) Uani 1 1 d .
O36 O 0.4843(7) 0.2816(8) 0.3114(7) 0.063(3) Uiso 0.50 1 d PD
O37 O 0.4063(7) 0.3217(8) 0.1902(8) 0.087(4) Uiso 0.50 1 d PD
O38 O 0.4967(9) 0.3108(10) 0.3224(10) 0.094(5) Uiso 0.50 1 d PD
F41 F 0.4887(11) 0.4352(11) 0.3184(10) 0.137(6) Uiso 0.50 1 d PD
C39 C 0.5000 0.4117(18) 0.2500 0.203(14) Uiso 1 2 d SD
S40 S 0.4828(2) 0.3202(3) 0.2364(3) 0.0639(13) Uani 0.50 1 d PD
F42 F 0.5707(10) 0.4276(14) 0.2762(15) 0.182(8) Uiso 0.50 1 d PD
F43 F 0.483(3) 0.461(2) 0.197(2) 0.33(2) Uiso 0.50 1 d PD
H4 H 0.3078 0.6020 0.4107 0.060 Uiso 1 1 d R
H5 H 0.3204 0.5827 0.5514 0.075 Uiso 1 1 d R
H6 H 0.2995 0.4718 0.5963 0.059 Uiso 1 1 d R
H11A H 0.3766 0.2844 0.3643 0.055 Uiso 1 1 d R
H11B H 0.3639 0.3244 0.4386 0.055 Uiso 1 1 d R
H11C H 0.3793 0.3677 0.3682 0.055 Uiso 1 1 d R
H13A H 0.3354 0.2173 0.2922 0.060 Uiso 1 1 d R
H13B H 0.2883 0.2157 0.1975 0.060 Uiso 1 1 d R
H13C H 0.2666 0.1697 0.2616 0.060 Uiso 1 1 d R
H17 H 0.0816 0.2196 -0.0417 0.060 Uiso 1 1 d R
H18 H 0.0156 0.1265 -0.0094 0.067 Uiso 1 1 d R
H19 H 0.0242 0.1040 0.1258 0.054 Uiso 1 1 d R
H24 H 0.1158 0.4451 0.4080 0.036 Uiso 1 1 d R
H25 H 0.1142 0.5600 0.4590 0.043 Uiso 1 1 d R
H26 H 0.0911 0.6573 0.3722 0.049 Uiso 1 1 d R
H27 H 0.0767 0.6410 0.2291 0.041 Uiso 1 1 d R
H28 H 0.0816 0.5286 0.1769 0.031 Uiso 1 1 d R
H29 H 0.1045 0.3396 0.5577 0.047 Uiso 1 1 d R
H30 H 0.0175 0.4271 0.5448 0.041 Uiso 1 1 d R
H31 H -0.0712 0.4466 0.4137 0.036 Uiso 1 1 d R
H33 H 0.0105 0.2879 0.3135 0.032 Uiso 1 1 d R
H34 H 0.1029 0.2718 0.4436 0.041 Uiso 1 1 d R
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'
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'
F F 0.0171 0.0103 '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'
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'
loop_
_diffrn_radiation_wavelength
0.71073
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-3 -1 0 0.028
3 7 -8 0.084
1 -2 4 0.126
16 17 2 0.062
-5 4 3 0.076
17 -17 1 0.112
3 1 -12 0.061
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
C32 Pt1 C23 93.64(18) 2 .
C32 Pt1 N14 95.07(17) 2 .
C23 Pt1 N14 170.50(17) . .
C32 Pt1 N1 167.63(19) 2 .
C23 Pt1 N1 95.47(17) . .
N14 Pt1 N1 75.37(15) . .
C32 Pt1 Cu1 56.65(14) 2 .
C23 Pt1 Cu1 50.91(13) . .
N14 Pt1 Cu1 138.12(12) . .
N1 Pt1 Cu1 135.65(12) . .
C23 Cu1 C23 126.3(3) 2 .
C23 Cu1 C32 82.60(18) 2 .
C23 Cu1 C32 120.50(17) . .
C23 Cu1 C32 120.50(17) 2 2
C23 Cu1 C32 82.60(18) . 2
C32 Cu1 C32 130.4(3) . 2
C23 Cu1 Pt1 47.55(13) 2 2
C23 Cu1 Pt1 161.33(12) . 2
C32 Cu1 Pt1 46.31(12) . 2
C32 Cu1 Pt1 115.93(13) 2 2
C23 Cu1 Pt1 161.33(12) 2 .
C23 Cu1 Pt1 47.55(13) . .
C32 Cu1 Pt1 115.94(13) . .
C32 Cu1 Pt1 46.31(12) 2 .
Pt1 Cu1 Pt1 144.86(4) 2 .
C10 N1 C2 119.2(4) . .
C10 N1 Pt1 117.0(3) . .
C2 N1 Pt1 123.5(3) . .
C12 N14 C15 120.5(4) . .
C12 N14 Pt1 118.1(3) . .
C15 N14 Pt1 121.3(3) . .
C3 C2 C7 117.2(5) . .
C3 C2 N1 121.7(5) . .
C7 C2 N1 121.0(5) . .
C2 C3 C4 122.2(5) . .
C2 C3 Cl8 118.4(4) . .
C4 C3 Cl8 119.4(5) . .
C5 C4 C3 118.9(6) . .
C4 C5 C6 121.3(6) . .
C5 C6 C7 118.7(6) . .
C6 C7 C2 121.6(6) . .
C6 C7 Cl9 119.3(5) . .
C2 C7 Cl9 119.1(4) . .
N1 C10 C12 114.9(4) . .
N1 C10 C11 124.8(5) . .
C12 C10 C11 120.3(5) . .
N14 C12 C10 114.3(4) . .
N14 C12 C13 125.1(5) . .
C10 C12 C13 120.6(5) . .
C20 C15 C16 119.7(5) . .
C20 C15 N14 120.7(4) . .
C16 C15 N14 119.4(5) . .
C15 C16 C17 119.9(6) . .
C15 C16 Cl21 120.0(4) . .
C17 C16 Cl21 120.1(5) . .
C18 C17 C16 119.1(6) . .
C19 C18 C17 121.5(6) . .
C18 C19 C20 119.0(6) . .
C15 C20 C19 120.7(5) . .
C15 C20 Cl22 119.6(4) . .
C19 C20 Cl22 119.7(5) . .
C28 C23 C24 116.3(5) . .
C28 C23 Pt1 122.6(3) . .
C24 C23 Pt1 119.9(4) . .
C28 C23 Cu1 102.9(3) . .
C24 C23 Cu1 97.1(3) . .
Pt1 C23 Cu1 81.54(18) . .
C25 C24 C23 121.1(5) . .
C26 C25 C24 121.6(5) . .
C25 C26 C27 118.5(5) . .
C28 C27 C26 120.8(5) . .
C27 C28 C23 121.7(4) . .
C34 C29 C30 120.8(5) . .
C31 C30 C29 118.9(5) . .
C30 C31 C32 122.9(5) . .
C33 C32 C31 116.4(5) . .
C33 C32 Pt1 124.6(4) . 2
C31 C32 Pt1 117.8(4) . 2
C33 C32 Cu1 87.8(3) . .
C31 C32 Cu1 118.0(4) . .
Pt1 C32 Cu1 77.04(16) 2 .
C34 C33 C32 121.0(5) . .
C29 C34 C33 119.9(5) . .
O38 O36 S40 59(2) . 2_655
O38 O36 S40 73(2) . .
S40 O36 S40 27.3(4) 2_655 .
S40 O37 S40 2.9(4) . 2_655
O36 O38 S40 95(2) . 2_655
O36 O38 S40 83(2) . .
S40 O38 S40 28.9(5) 2_655 .
F43 F41 C39 65(2) 2_655 .
F43 F41 F42 94(3) 2_655 2_655
C39 F41 F42 52.7(10) . 2_655
F43 C39 F43 85(4) 2_655 .
F43 C39 F41 38(2) 2_655 .
F43 C39 F41 107(3) . .
F43 C39 F41 107(3) 2_655 2_655
F43 C39 F41 38(2) . 2_655
F41 C39 F41 141(3) . 2_655
F43 C39 F42 66(2) 2_655 .
F43 C39 F42 94(3) . .
F41 C39 F42 96.0(16) . .
F41 C39 F42 75.5(14) 2_655 .
F43 C39 F42 94(3) 2_655 2_655
F43 C39 F42 66(2) . 2_655
F41 C39 F42 75.5(14) . 2_655
F41 C39 F42 96.0(16) 2_655 2_655
F42 C39 F42 154(4) . 2_655
F43 C39 S40 144(2) 2_655 .
F43 C39 S40 129(2) . .
F41 C39 S40 110.8(17) . .
F41 C39 S40 107.0(16) 2_655 .
F42 C39 S40 113(2) . .
F42 C39 S40 92.3(16) 2_655 .
F43 C39 S40 129(2) 2_655 2_655
F43 C39 S40 144(2) . 2_655
F41 C39 S40 107.0(16) . 2_655
F41 C39 S40 110.8(17) 2_655 2_655
F42 C39 S40 92.3(16) . 2_655
F42 C39 S40 113(2) 2_655 2_655
S40 C39 S40 22.4(5) . 2_655
S40 S40 O38 91.1(13) 2_655 2_655
S40 S40 O38 59.9(11) 2_655 .
O38 S40 O38 147.0(10) 2_655 .
S40 S40 O36 80.7(10) 2_655 2_655
O38 S40 O36 25.3(9) 2_655 2_655
O38 S40 O36 125.1(11) . 2_655
S40 S40 O37 170.9(13) 2_655 .
O38 S40 O37 97.9(10) 2_655 .
O38 S40 O37 111.3(10) . .
O36 S40 O37 107.5(8) 2_655 .
S40 S40 O36 72.0(9) 2_655 .
O38 S40 O36 137.4(12) 2_655 .
O38 S40 O36 24.2(8) . .
O36 S40 O36 112.2(11) 2_655 .
O37 S40 O36 100.8(8) . .
S40 S40 C39 78.8(2) 2_655 .
O38 S40 C39 98.4(10) 2_655 .
O38 S40 C39 91.5(8) . .
O36 S40 C39 118.3(7) 2_655 .
O37 S40 C39 100.0(6) . .
O36 S40 C39 115.2(6) . .
S40 S40 O37 6.2(9) 2_655 2_655
O38 S40 O37 85.2(9) 2_655 2_655
O38 S40 O37 66.1(8) . 2_655
O36 S40 O37 75.8(7) 2_655 2_655
O37 S40 O37 176.6(7) . 2_655
O36 S40 O37 77.6(6) . 2_655
C39 S40 O37 78.1(5) . 2_655
C39 F42 F43 53.2(15) . 2_655
C39 F42 F41 51.8(10) . 2_655
F43 F42 F41 85(2) 2_655 2_655
F41 F43 C39 77(3) 2_655 .
F41 F43 F42 120(4) 2_655 2_655
C39 F43 F42 60.4(18) . 2_655
F41 F43 F43 105(5) 2_655 2_655
C39 F43 F43 47(2) . 2_655
F42 F43 F43 75(3) 2_655 2_655
C5 C4 H4 122.3 . .
C3 C4 H4 118.8 . .
C4 C5 H5 120.1 . .
C6 C5 H5 118.5 . .
C5 C6 H6 119.9 . .
C7 C6 H6 121.4 . .
C10 C11 H11A 109.4 . .
C10 C11 H11B 110.2 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 108.9 . .
H11A C11 H11C 109.4 . .
H11B C11 H11C 109.5 . .
C12 C13 H13A 108.9 . .
C12 C13 H13B 109.3 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 110.2 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C18 C17 H17 121.3 . .
C16 C17 H17 119.5 . .
C19 C18 H18 118.4 . .
C17 C18 H18 120.1 . .
C18 C19 H19 119.2 . .
C20 C19 H19 121.9 . .
C25 C24 H24 119.0 . .
C23 C24 H24 119.9 . .
C26 C25 H25 118.4 . .
C24 C25 H25 120.1 . .
C25 C26 H26 119.7 . .
C27 C26 H26 121.8 . .
C28 C27 H27 119.0 . .
C26 C27 H27 120.2 . .
C27 C28 H28 118.7 . .
C23 C28 H28 119.7 . .
C34 C29 H29 119.4 . .
C30 C29 H29 119.7 . .
C31 C30 H30 120.8 . .
C29 C30 H30 120.3 . .
C30 C31 H31 120.4 . .
C32 C31 H31 116.7 . .
C34 C33 H33 119.7 . .
C32 C33 H33 119.2 . .
C29 C34 H34 119.6 . .
C33 C34 H34 120.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C32 2.022(5) 2
Pt1 C23 2.033(5) .
Pt1 N14 2.082(4) .
Pt1 N1 2.106(5) .
Pt1 Cu1 2.7254(3) .
Cu1 C23 2.138(5) 2
Cu1 C23 2.139(5) .
Cu1 C32 2.336(5) .
Cu1 C32 2.336(5) 2
Cu1 Pt1 2.7254(3) 2
Cl8 C3 1.746(6) .
Cl9 C7 1.747(6) .
Cl21 C16 1.720(7) .
Cl22 C20 1.733(6) .
N1 C10 1.289(7) .
N1 C2 1.437(6) .
N14 C12 1.293(6) .
N14 C15 1.443(6) .
C2 C3 1.370(8) .
C2 C7 1.395(7) .
C3 C4 1.379(8) .
C4 C5 1.364(11) .
C5 C6 1.371(11) .
C6 C7 1.380(8) .
C10 C12 1.487(7) .
C10 C11 1.493(7) .
C12 C13 1.493(7) .
C15 C20 1.380(8) .
C15 C16 1.386(7) .
C16 C17 1.399(8) .
C17 C18 1.382(11) .
C18 C19 1.372(10) .
C19 C20 1.396(8) .
C23 C28 1.406(7) .
C23 C24 1.416(6) .
C24 C25 1.388(8) .
C25 C26 1.369(9) .
C26 C27 1.395(9) .
C27 C28 1.384(8) .
C29 C34 1.375(8) .
C29 C30 1.384(9) .
C30 C31 1.380(7) .
C31 C32 1.408(7) .
C32 C33 1.406(7) .
C32 Pt1 2.022(5) 2
C33 C34 1.404(7) .
O36 O38 0.60(2) .
O36 S40 1.412(14) 2_655
O36 S40 1.465(13) .
O37 S40 1.455(13) .
O37 S40 2.131(14) 2_655
O38 S40 1.220(17) 2_655
O38 S40 1.410(16) .
F41 F43 0.86(5) 2_655
F41 C39 1.338(19) .
F41 F42 1.65(3) 2_655
C39 F43 1.25(3) 2_655
C39 F43 1.25(3) .
C39 F41 1.338(19) 2_655
C39 F42 1.355(19) .
C39 F42 1.355(19) 2_655
C39 S40 1.75(3) .
C39 S40 1.75(3) 2_655
S40 S40 0.682(7) 2_655
S40 O38 1.220(17) 2_655
S40 O36 1.412(14) 2_655
S40 O37 2.131(14) 2_655
F42 F43 1.43(5) 2_655
F42 F41 1.65(3) 2_655
F43 F41 0.86(5) 2_655
F43 F42 1.43(5) 2_655
F43 F43 1.69(7) 2_655
C4 H4 0.9601 .
C5 H5 0.9600 .
C6 H6 0.9600 .
C11 H11A 0.9602 .
C11 H11B 0.9599 .
C11 H11C 0.9602 .
C13 H13A 0.9601 .
C13 H13B 0.9601 .
C13 H13C 0.9599 .
C17 H17 0.9601 .
C18 H18 0.9600 .
C19 H19 0.9599 .
C24 H24 0.9600 .
C25 H25 0.9600 .
C26 H26 0.9601 .
C27 H27 0.9599 .
C28 H28 0.9601 .
C29 H29 0.9600 .
C30 H30 0.9599 .
C31 H31 0.9599 .
C33 H33 0.9600 .
C34 H34 0.9601 .
