#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:22:40 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180136 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/33/7103379.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_7103379
loop_
_publ_author_name
'Baudron, Stéphane A'
'Hosseini, Mir Wais'
_publ_section_title
;
 Modular construction of a series of heteronuclear metallamacrocycles.
;
_journal_issue                   38
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4558
_journal_page_last               4560
_journal_paper_doi               10.1039/b809643k
_journal_year                    2008
_chemical_formula_moiety         'C78 H64 Ag2 Cl2 N4 P4 Pt2 S4, C H2 Cl2'
_chemical_formula_sum            'C79 H66 Ag2 Cl4 N4 P4 Pt2 S4'
_chemical_formula_weight         2071.20
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_creation_method           SHELXL-97
_cell_angle_alpha                101.3700(10)
_cell_angle_beta                 96.1060(10)
_cell_angle_gamma                109.7470(10)
_cell_formula_units_Z            1
_cell_length_a                   9.9781(2)
_cell_length_b                   12.6890(3)
_cell_length_c                   17.2016(4)
_cell_measurement_reflns_used    6020
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      23.84
_cell_measurement_theta_min      2.26
_cell_volume                     1974.00(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0449
_diffrn_reflns_av_sigmaI/netI    0.0586
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            28772
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         1.23
_exptl_absorpt_coefficient_mu    4.388
_exptl_absorpt_correction_T_max  0.8104
_exptl_absorpt_correction_T_min  0.4593
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.742
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1010
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.038
_refine_diff_density_min         -1.700
_refine_diff_density_rms         0.238
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     448
_refine_ls_number_reflns         8915
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0361
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0658P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0981
_refine_ls_wR_factor_ref         0.1140
_reflns_number_gt                7051
_reflns_number_total             8915
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b809643k.txt
_cod_data_source_block           compound10
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7103379
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0420(6) 0.7467(5) 0.0767(4) 0.0277(13) Uani 1 1 d . . .
C2 C -0.0250(6) 0.6574(5) 0.0090(3) 0.0270(13) Uani 1 1 d . . .
C3 C 0.0358(6) 0.6317(5) -0.0640(4) 0.0289(13) Uani 1 1 d . . .
C4 C 0.1623(7) 0.6838(6) -0.0894(4) 0.0352(15) Uani 1 1 d . . .
H4 H 0.2318 0.7534 -0.0587 0.042 Uiso 1 1 calc R . .
C5 C 0.1822(8) 0.6283(6) -0.1629(4) 0.0425(17) Uani 1 1 d . . .
H5 H 0.2670 0.6614 -0.1815 0.051 Uiso 1 1 calc R . .
C6 C 0.0800(9) 0.5262(6) -0.2086(4) 0.0481(19) Uani 1 1 d . . .
H6 H 0.0986 0.4915 -0.2569 0.058 Uiso 1 1 calc R . .
C7 C -0.0651(7) 0.5268(5) -0.1157(4) 0.0337(15) Uani 1 1 d . . .
C8 C -0.1855(6) 0.4851(5) -0.0777(4) 0.0306(14) Uani 1 1 d . . .
C9 C -0.1666(6) 0.5622(5) -0.0019(4) 0.0303(14) Uani 1 1 d . . .
C10 C -0.2722(7) 0.5345(6) 0.0438(4) 0.0363(15) Uani 1 1 d . . .
H10 H -0.2653 0.5834 0.0933 0.044 Uiso 1 1 calc R . .
C11 C -0.3892(8) 0.4314(6) 0.0136(5) 0.0509(19) Uani 1 1 d . . .
H11 H -0.4618 0.4098 0.0435 0.061 Uiso 1 1 calc R . .
C12 C -0.3997(9) 0.3578(6) -0.0632(5) 0.054(2) Uani 1 1 d . . .
H12 H -0.4787 0.2885 -0.0823 0.064 Uiso 1 1 calc R . .
N1 N -0.0469(7) 0.4736(5) -0.1865(3) 0.0420(14) Uani 1 1 d . . .
N2 N -0.2959(6) 0.3873(5) -0.1090(4) 0.0424(14) Uani 1 1 d . . .
Ag1 Ag -0.25532(8) 0.28298(5) -0.22766(3) 0.05762(19) Uani 1 1 d . . .
Cl1 Cl -0.39940(15) 0.20627(13) -0.36471(9) 0.0316(3) Uani 1 1 d . . .
C13 C 0.5404(6) 1.0243(5) 0.2023(4) 0.0277(13) Uani 1 1 d . . .
C14 C 0.5989(6) 0.9485(5) 0.2274(4) 0.0335(14) Uani 1 1 d . . .
H14 H 0.5794 0.9259 0.2745 0.040 Uiso 1 1 calc R . .
C15 C 0.6845(6) 0.9073(6) 0.1835(4) 0.0339(14) Uani 1 1 d . . .
H15 H 0.7245 0.8579 0.2014 0.041 Uiso 1 1 calc R . .
C16 C 0.7122(7) 0.9384(6) 0.1126(4) 0.0395(16) Uani 1 1 d . . .
H16 H 0.7705 0.9098 0.0828 0.047 Uiso 1 1 calc R . .
C17 C 0.6539(7) 1.0116(6) 0.0860(4) 0.0421(17) Uani 1 1 d . . .
H17 H 0.6722 1.0319 0.0380 0.051 Uiso 1 1 calc R . .
C18 C 0.5679(7) 1.0554(6) 0.1302(4) 0.0365(15) Uani 1 1 d . . .
H18 H 0.5286 1.1050 0.1121 0.044 Uiso 1 1 calc R . .
C19 C 0.4117(6) 1.1997(5) 0.2298(4) 0.0296(13) Uani 1 1 d . . .
C20 C 0.3164(7) 1.1912(6) 0.1617(4) 0.0413(16) Uani 1 1 d . . .
H20 H 0.2548 1.1187 0.1306 0.050 Uiso 1 1 calc R . .
C21 C 0.3121(8) 1.2885(7) 0.1400(5) 0.052(2) Uani 1 1 d . . .
H21 H 0.2503 1.2809 0.0931 0.062 Uiso 1 1 calc R . .
C22 C 0.3973(8) 1.3969(7) 0.1862(5) 0.052(2) Uani 1 1 d . . .
H22 H 0.3908 1.4623 0.1721 0.062 Uiso 1 1 calc R . .
C23 C 0.4927(8) 1.4073(6) 0.2540(5) 0.053(2) Uani 1 1 d . . .
H23 H 0.5524 1.4804 0.2851 0.064 Uiso 1 1 calc R . .
C24 C 0.5004(7) 1.3100(6) 0.2761(4) 0.0395(16) Uani 1 1 d . . .
H24 H 0.5650 1.3182 0.3220 0.047 Uiso 1 1 calc R . .
C25 C 0.0448(6) 1.0893(5) 0.3389(4) 0.0291(13) Uani 1 1 d . . .
C26 C -0.0003(8) 1.1379(6) 0.4052(4) 0.0426(17) Uani 1 1 d . . .
H26 H 0.0151 1.1180 0.4536 0.051 Uiso 1 1 calc R . .
C27 C -0.0680(8) 1.2161(7) 0.4006(4) 0.0472(19) Uani 1 1 d . . .
H27 H -0.1012 1.2460 0.4451 0.057 Uiso 1 1 calc R . .
C28 C -0.0861(7) 1.2495(6) 0.3300(4) 0.0427(17) Uani 1 1 d . . .
H28 H -0.1294 1.3033 0.3270 0.051 Uiso 1 1 calc R . .
C29 C -0.0398(8) 1.2025(6) 0.2641(4) 0.0455(17) Uani 1 1 d . . .
H29 H -0.0524 1.2247 0.2163 0.055 Uiso 1 1 calc R . .
C30 C 0.0251(7) 1.1231(6) 0.2676(4) 0.0364(15) Uani 1 1 d . . .
H30 H 0.0558 1.0920 0.2224 0.044 Uiso 1 1 calc R . .
C31 C -0.0097(6) 0.8613(5) 0.3652(3) 0.0278(13) Uani 1 1 d . . .
C32 C -0.1534(7) 0.8520(6) 0.3639(4) 0.0344(15) Uani 1 1 d . . .
H32 H -0.1822 0.9101 0.3515 0.041 Uiso 1 1 calc R . .
C33 C -0.2539(7) 0.7569(6) 0.3809(4) 0.0391(16) Uani 1 1 d . . .
H33 H -0.3492 0.7518 0.3803 0.047 Uiso 1 1 calc R . .
C34 C -0.2113(7) 0.6698(6) 0.3987(4) 0.0404(16) Uani 1 1 d . . .
H34 H -0.2784 0.6063 0.4103 0.049 Uiso 1 1 calc R . .
C35 C -0.0697(7) 0.6766(5) 0.3993(4) 0.0355(15) Uani 1 1 d . . .
H35 H -0.0423 0.6172 0.4105 0.043 Uiso 1 1 calc R . .
C36 C 0.0317(7) 0.7725(5) 0.3832(4) 0.0328(14) Uani 1 1 d . . .
H36 H 0.1272 0.7775 0.3845 0.039 Uiso 1 1 calc R . .
C37 C 0.2714(6) 1.0423(5) 0.4293(3) 0.0288(13) Uani 1 1 d . . .
H37A H 0.2331 1.0688 0.4756 0.035 Uiso 1 1 calc R . .
H37B H 0.3042 0.9818 0.4400 0.035 Uiso 1 1 calc R . .
C38 C 0.4012(6) 1.1427(5) 0.4206(4) 0.0330(14) Uani 1 1 d . . .
H38A H 0.4616 1.1820 0.4734 0.040 Uiso 1 1 calc R . .
H38B H 0.3663 1.1974 0.4014 0.040 Uiso 1 1 calc R . .
C39 C 0.4944(6) 1.1080(5) 0.3633(3) 0.0294(13) Uani 1 1 d . . .
H39A H 0.5147 1.0433 0.3765 0.035 Uiso 1 1 calc R . .
H39B H 0.5862 1.1720 0.3724 0.035 Uiso 1 1 calc R . .
P1 P 0.41279(15) 1.06747(13) 0.25678(9) 0.0247(3) Uani 1 1 d . . .
P2 P 0.12540(16) 0.98078(13) 0.34065(9) 0.0239(3) Uani 1 1 d . . .
S1 S 0.21586(16) 0.85081(14) 0.09125(9) 0.0302(3) Uani 1 1 d . . .
S2 S -0.02741(15) 0.77047(13) 0.16510(9) 0.0294(3) Uani 1 1 d . . .
Pt1 Pt 0.19034(2) 0.925861(18) 0.221795(13) 0.02169(8) Uani 1 1 d . . .
Cl2 Cl 0.2087(6) 0.5664(5) 0.4993(4) 0.0901(12) Uani 0.50 1 d P A -1
Cl3 Cl 0.4413(5) 0.5004(5) 0.4651(4) 0.0901(12) Uani 0.50 1 d P A -1
C40 C 0.272(2) 0.5149(19) 0.4099(15) 0.0901(12) Uani 0.50 1 d P A -1
H40A H 0.2962 0.5709 0.3775 0.108 Uiso 0.50 1 calc PR A -1
H40B H 0.2028 0.4414 0.3768 0.108 Uiso 0.50 1 calc PR A -1
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'
P P 0.1023 0.0942 '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'
Ag Ag -0.8971 1.1015 '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'
Cl Cl 0.1484 0.1585 '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
C2 C1 S1 125.5(5) . . ?
C2 C1 S2 126.0(5) . . ?
S1 C1 S2 108.4(3) . . ?
C1 C2 C3 126.7(5) . . ?
C1 C2 C9 126.5(6) . . ?
C3 C2 C9 106.6(5) . . ?
C4 C3 C7 117.3(6) . . ?
C4 C3 C2 135.0(5) . . ?
C7 C3 C2 107.7(5) . . ?
C3 C4 C5 117.4(6) . . ?
C3 C4 H4 121.3 . . ?
C5 C4 H4 121.3 . . ?
C6 C5 C4 121.5(7) . . ?
C6 C5 H5 119.2 . . ?
C4 C5 H5 119.2 . . ?
N1 C6 C5 122.9(6) . . ?
N1 C6 H6 118.6 . . ?
C5 C6 H6 118.6 . . ?
N1 C7 C3 125.5(6) . . ?
N1 C7 C8 125.7(6) . . ?
C3 C7 C8 108.7(5) . . ?
N2 C8 C9 125.9(6) . . ?
N2 C8 C7 123.7(6) . . ?
C9 C8 C7 110.4(5) . . ?
C10 C9 C8 118.3(6) . . ?
C10 C9 C2 135.0(6) . . ?
C8 C9 C2 106.7(5) . . ?
C9 C10 C11 117.7(6) . . ?
C9 C10 H10 121.2 . . ?
C11 C10 H10 121.2 . . ?
C10 C11 C12 120.7(7) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
N2 C12 C11 121.2(7) . . ?
N2 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C7 N1 C6 115.4(6) . . ?
C7 N1 Ag1 104.9(5) . . ?
C6 N1 Ag1 138.9(5) . . ?
C8 N2 C12 116.2(6) . . ?
C8 N2 Ag1 111.1(5) . . ?
C12 N2 Ag1 131.9(5) . . ?
N2 Ag1 Cl1 131.04(14) . . ?
N2 Ag1 N1 74.0(2) . . ?
Cl1 Ag1 N1 122.12(14) . . ?
N2 Ag1 Pt1 118.45(14) . 2_565 ?
Cl1 Ag1 Pt1 95.55(4) . 2_565 ?
N1 Ag1 Pt1 117.41(13) . 2_565 ?
C14 C13 C18 119.1(6) . . ?
C14 C13 P1 119.6(5) . . ?
C18 C13 P1 120.9(5) . . ?
C15 C14 C13 120.6(6) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 120.4(6) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C17 C16 C15 120.1(6) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 120.3(7) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C17 C18 C13 119.5(6) . . ?
C17 C18 H18 120.2 . . ?
C13 C18 H18 120.2 . . ?
C20 C19 C24 118.0(6) . . ?
C20 C19 P1 119.2(5) . . ?
C24 C19 P1 122.7(5) . . ?
C21 C20 C19 120.8(7) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C20 C21 C22 121.2(7) . . ?
C20 C21 H21 119.4 . . ?
C22 C21 H21 119.4 . . ?
C21 C22 C23 119.0(7) . . ?
C21 C22 H22 120.5 . . ?
C23 C22 H22 120.5 . . ?
C22 C23 C24 120.6(7) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C23 C24 C19 120.3(7) . . ?
C23 C24 H24 119.8 . . ?
C19 C24 H24 119.8 . . ?
C26 C25 C30 118.7(6) . . ?
C26 C25 P2 122.4(5) . . ?
C30 C25 P2 118.9(5) . . ?
C25 C26 C27 121.0(7) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C28 C27 C26 119.9(7) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C29 C28 C27 119.4(6) . . ?
C29 C28 H28 120.3 . . ?
C27 C28 H28 120.3 . . ?
C28 C29 C30 121.0(7) . . ?
C28 C29 H29 119.5 . . ?
C30 C29 H29 119.5 . . ?
C29 C30 C25 120.0(6) . . ?
C29 C30 H30 120.0 . . ?
C25 C30 H30 120.0 . . ?
C32 C31 C36 118.9(6) . . ?
C32 C31 P2 123.0(5) . . ?
C36 C31 P2 118.0(4) . . ?
C33 C32 C31 120.8(6) . . ?
C33 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?
C34 C33 C32 119.6(6) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C33 C34 C35 120.5(6) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 H34 119.7 . . ?
C34 C35 C36 119.9(6) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C31 120.2(6) . . ?
C35 C36 H36 119.9 . . ?
C31 C36 H36 119.9 . . ?
C38 C37 P2 114.1(4) . . ?
C38 C37 H37A 108.7 . . ?
P2 C37 H37A 108.7 . . ?
C38 C37 H37B 108.7 . . ?
P2 C37 H37B 108.7 . . ?
H37A C37 H37B 107.6 . . ?
C37 C38 C39 114.6(5) . . ?
C37 C38 H38A 108.6 . . ?
C39 C38 H38A 108.6 . . ?
C37 C38 H38B 108.6 . . ?
C39 C38 H38B 108.6 . . ?
H38A C38 H38B 107.6 . . ?
C38 C39 P1 114.5(4) . . ?
C38 C39 H39A 108.6 . . ?
P1 C39 H39A 108.6 . . ?
C38 C39 H39B 108.6 . . ?
P1 C39 H39B 108.6 . . ?
H39A C39 H39B 107.6 . . ?
C39 P1 C13 105.8(3) . . ?
C39 P1 C19 107.0(3) . . ?
C13 P1 C19 105.6(3) . . ?
C39 P1 Pt1 115.3(2) . . ?
C13 P1 Pt1 110.65(19) . . ?
C19 P1 Pt1 111.8(2) . . ?
C31 P2 C25 105.8(3) . . ?
C31 P2 C37 105.0(3) . . ?
C25 P2 C37 105.4(3) . . ?
C31 P2 Pt1 112.07(19) . . ?
C25 P2 Pt1 111.9(2) . . ?
C37 P2 Pt1 115.9(2) . . ?
C1 S1 Pt1 88.5(2) . . ?
C1 S2 Pt1 88.4(2) . . ?
P2 Pt1 P1 93.74(6) . . ?
P2 Pt1 S2 95.94(5) . . ?
P1 Pt1 S2 170.33(5) . . ?
P2 Pt1 S1 170.34(5) . . ?
P1 Pt1 S1 95.60(5) . . ?
S2 Pt1 S1 74.73(5) . . ?
P2 Pt1 Ag1 106.31(4) . 2_565 ?
P1 Pt1 Ag1 102.60(4) . 2_565 ?
S2 Pt1 Ag1 74.64(4) . 2_565 ?
S1 Pt1 Ag1 74.03(4) . 2_565 ?
Cl2 C40 Cl3 96.8(12) . . ?
Cl2 C40 H40A 112.4 . . ?
Cl3 C40 H40A 112.4 . . ?
Cl2 C40 H40B 112.4 . . ?
Cl3 C40 H40B 112.4 . . ?
H40A C40 H40B 110.0 . . ?
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
C1 C2 1.374(8) . ?
C1 S1 1.745(6) . ?
C1 S2 1.752(6) . ?
C2 C3 1.478(8) . ?
C2 C9 1.480(8) . ?
C3 C4 1.374(9) . ?
C3 C7 1.419(8) . ?
C4 C5 1.389(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.368(10) . ?
C5 H5 0.9300 . ?
C6 N1 1.350(10) . ?
C6 H6 0.9300 . ?
C7 N1 1.333(8) . ?
C7 C8 1.423(9) . ?
C8 N2 1.316(8) . ?
C8 C9 1.418(8) . ?
C9 C10 1.373(9) . ?
C10 C11 1.384(9) . ?
C10 H10 0.9300 . ?
C11 C12 1.431(11) . ?
C11 H11 0.9300 . ?
C12 N2 1.364(10) . ?
C12 H12 0.9300 . ?
N1 Ag1 2.508(6) . ?
N2 Ag1 2.357(6) . ?
Ag1 Cl1 2.4495(15) . ?
Ag1 Pt1 2.9506(6) 2_565 ?
C13 C14 1.393(8) . ?
C13 C18 1.401(9) . ?
C13 P1 1.823(6) . ?
C14 C15 1.363(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.381(9) . ?
C15 H15 0.9300 . ?
C16 C17 1.375(10) . ?
C16 H16 0.9300 . ?
C17 C18 1.385(9) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.389(9) . ?
C19 C24 1.397(9) . ?
C19 P1 1.830(6) . ?
C20 C21 1.371(10) . ?
C20 H20 0.9300 . ?
C21 C22 1.371(10) . ?
C21 H21 0.9300 . ?
C22 C23 1.378(11) . ?
C22 H22 0.9300 . ?
C23 C24 1.385(10) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.379(9) . ?
C25 C30 1.392(9) . ?
C25 P2 1.818(6) . ?
C26 C27 1.385(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.376(10) . ?
C27 H27 0.9300 . ?
C28 C29 1.374(10) . ?
C28 H28 0.9300 . ?
C29 C30 1.377(9) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C32 1.396(8) . ?
C31 C36 1.401(8) . ?
C31 P2 1.813(6) . ?
C32 C33 1.389(9) . ?
C32 H32 0.9300 . ?
C33 C34 1.385(10) . ?
C33 H33 0.9300 . ?
C34 C35 1.385(9) . ?
C34 H34 0.9300 . ?
C35 C36 1.394(9) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C38 1.525(8) . ?
C37 P2 1.830(5) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 C39 1.525(8) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 P1 1.821(6) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
P1 Pt1 2.2610(15) . ?
P2 Pt1 2.2606(15) . ?
S1 Pt1 2.3360(14) . ?
S2 Pt1 2.3358(14) . ?
Pt1 Ag1 2.9506(6) 2_565 ?
Cl2 C40 1.81(2) . ?
Cl3 C40 1.93(2) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
