#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:26:20 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179449 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/46/4334651.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_4334651
loop_
_publ_author_name
'Li-Yi Zhang'
'Liang-Jin Xu'
'Xu Zhang'
'Jin-Yun Wang'
'Jia Li'
'Zhong-Ning Chen'
_publ_section_title
;
 Spectroscopic and Phosphorescent Modulation in Triphosphine-Supported
 PtAg2 Heterotrinuclear Alkynyl Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5167
_journal_page_last               5175
_journal_paper_doi               10.1021/ic4000457
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C92 H91 Ag2 Cl2 N2 O8 P6 Pt'
_chemical_formula_weight         2020.22
_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                97.268(7)
_cell_angle_beta                 103.671(6)
_cell_angle_gamma                113.758(4)
_cell_formula_units_Z            2
_cell_length_a                   14.0270(15)
_cell_length_b                   15.6194(18)
_cell_length_c                   23.760(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4483.3(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_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  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0471
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            32573
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.52
_exptl_absorpt_coefficient_mu    2.210
_exptl_absorpt_correction_T_max  0.5626
_exptl_absorpt_correction_T_min  0.3387
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_F_000             2034
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.091
_refine_diff_density_min         -1.084
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1049
_refine_ls_number_reflns         15194
_refine_ls_number_restraints     95
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0469P)²+3.0843P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0936
_refine_ls_wR_factor_ref         0.0967
_reflns_number_gt                13845
_reflns_number_total             15194
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4000457_si_002_04.cif
_cod_data_source_block           4(MeCN)_MeCN
_cod_original_cell_volume        4483.4(9)
_cod_database_code               4334651
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
Pt1 Pt 0.0000 0.0000 0.0000 0.02711(7) Uani 1 2 d S . .
Pt2 Pt 0.5000 0.5000 0.5000 0.03043(7) Uani 1 2 d S . .
Ag1 Ag -0.01631(3) -0.09150(2) 0.104442(13) 0.03886(9) Uani 1 1 d . . .
Ag2 Ag 0.55563(3) 0.60927(3) 0.405824(16) 0.05406(11) Uani 1 1 d . . .
P1 P 0.13398(8) -0.13259(7) 0.09555(5) 0.0344(2) Uani 1 1 d . . .
P2 P 0.12461(8) -0.05262(7) -0.01803(4) 0.0312(2) Uani 1 1 d . . .
P3 P -0.03273(9) 0.04952(7) 0.14953(4) 0.0368(2) Uani 1 1 d . . .
P4 P 0.40044(9) 0.64464(7) 0.39635(5) 0.0366(2) Uani 1 1 d . . .
P5 P 0.35621(8) 0.53951(7) 0.49463(4) 0.0317(2) Uani 1 1 d . . .
P6 P 0.66170(9) 0.52506(8) 0.38957(5) 0.0390(2) Uani 1 1 d . . .
N1 N -0.1392(4) -0.2454(3) 0.11763(19) 0.0644(11) Uani 1 1 d . . .
C1 C 0.1311(3) -0.1481(3) 0.01757(17) 0.0358(9) Uani 1 1 d . . .
H1A H 0.0681 -0.2085 -0.0056 0.043 Uiso 1 1 calc R . .
H1B H 0.1962 -0.1542 0.0153 0.043 Uiso 1 1 calc R . .
C2 C 0.0764(4) -0.1151(3) -0.09710(17) 0.0420(10) Uani 1 1 d . . .
H2A H 0.0150 -0.1776 -0.1037 0.050 Uiso 1 1 calc R . .
H2B H 0.1347 -0.1262 -0.1064 0.050 Uiso 1 1 calc R . .
C3 C 0.1166(3) -0.2496(3) 0.10959(18) 0.0388(9) Uani 1 1 d . . .
C4 C 0.1637(4) -0.2554(3) 0.1654(2) 0.0605(13) Uani 1 1 d . . .
H4A H 0.2114 -0.1990 0.1950 0.073 Uiso 1 1 calc R . .
C5 C 0.1416(5) -0.3436(4) 0.1784(3) 0.0737(15) Uani 1 1 d . . .
H5A H 0.1735 -0.3459 0.2169 0.088 Uiso 1 1 calc R . .
C6 C 0.0744(5) -0.4265(4) 0.1361(3) 0.0642(14) Uani 1 1 d . . .
H6A H 0.0604 -0.4858 0.1451 0.077 Uiso 1 1 calc R . .
C7 C 0.0276(5) -0.4227(4) 0.0803(3) 0.0742(17) Uani 1 1 d . . .
H7A H -0.0190 -0.4796 0.0508 0.089 Uiso 1 1 calc R . .
C8 C 0.0488(5) -0.3348(3) 0.0672(2) 0.0659(15) Uani 1 1 d . . .
H8A H 0.0165 -0.3332 0.0286 0.079 Uiso 1 1 calc R . .
C9 C 0.2767(3) -0.0535(3) 0.14035(19) 0.0430(9) Uani 1 1 d . . .
C10 C 0.3633(4) -0.0654(4) 0.1295(2) 0.0610(12) Uani 1 1 d . . .
H10A H 0.3504 -0.1126 0.0967 0.073 Uiso 1 1 calc R . .
C11 C 0.4692(4) -0.0078(4) 0.1670(3) 0.0804(17) Uani 1 1 d . . .
H11A H 0.5273 -0.0161 0.1593 0.097 Uiso 1 1 calc R . .
C12 C 0.4887(5) 0.0610(4) 0.2152(3) 0.0816(17) Uani 1 1 d . . .
H12A H 0.5603 0.0994 0.2403 0.098 Uiso 1 1 calc R . .
C13 C 0.4041(5) 0.0745(4) 0.2272(3) 0.0753(16) Uani 1 1 d . . .
H13A H 0.4180 0.1215 0.2604 0.090 Uiso 1 1 calc R . .
C14 C 0.2979(4) 0.0178(3) 0.1894(2) 0.0554(12) Uani 1 1 d . . .
H14A H 0.2404 0.0274 0.1969 0.067 Uiso 1 1 calc R . .
C15 C 0.2665(3) 0.0352(3) 0.0006(2) 0.0471(10) Uani 1 1 d . . .
C16 C 0.3325(5) 0.0282(4) -0.0313(3) 0.0857(19) Uani 1 1 d . . .
H16A H 0.3043 0.0361 -0.0707 0.103 Uiso 1 1 calc R . .
H16B H 0.3255 -0.0369 -0.0366 0.103 Uiso 1 1 calc R . .
C17 C 0.4458(6) 0.0931(7) -0.0084(5) 0.131(3) Uani 1 1 d . . .
H17A H 0.4927 0.0881 -0.0290 0.157 Uiso 1 1 calc R . .
C18 C 0.4859(6) 0.1608(6) 0.0420(5) 0.133(4) Uani 1 1 d . . .
H18A H 0.5597 0.2055 0.0547 0.160 Uiso 1 1 calc R . .
C19 C 0.4209(5) 0.1663(4) 0.0755(4) 0.098(2) Uani 1 1 d . . .
H19A H 0.4508 0.2113 0.1122 0.117 Uiso 1 1 calc R . .
C20 C 0.3116(4) 0.1046(3) 0.0544(2) 0.0625(13) Uani 1 1 d . . .
H20A H 0.2664 0.1092 0.0764 0.075 Uiso 1 1 calc R . .
C21 C -0.1208(4) 0.0349(3) 0.19632(18) 0.0420(10) Uani 1 1 d . . .
C22 C -0.1773(4) -0.0552(3) 0.2051(2) 0.0603(13) Uani 1 1 d . . .
H22A H -0.1695 -0.1076 0.1874 0.072 Uiso 1 1 calc R . .
C23 C -0.2452(5) -0.0678(4) 0.2401(3) 0.0811(17) Uani 1 1 d . . .
H23A H -0.2836 -0.1287 0.2456 0.097 Uiso 1 1 calc R . .
C24 C -0.2565(4) 0.0093(5) 0.2669(3) 0.0789(17) Uani 1 1 d . . .
H24A H -0.3014 0.0007 0.2910 0.095 Uiso 1 1 calc R . .
C25 C -0.2020(4) 0.0979(4) 0.2583(2) 0.0701(15) Uani 1 1 d . . .
H25A H -0.2105 0.1496 0.2763 0.084 Uiso 1 1 calc R . .
C26 C -0.1340(4) 0.1128(4) 0.2230(2) 0.0582(13) Uani 1 1 d . . .
H26A H -0.0976 0.1738 0.2171 0.070 Uiso 1 1 calc R . .
C27 C 0.1035(3) 0.1421(3) 0.19692(17) 0.0418(9) Uani 1 1 d . . .
C28 C 0.1400(4) 0.1562(3) 0.25753(19) 0.0538(11) Uani 1 1 d . . .
H28A H 0.0923 0.1213 0.2767 0.065 Uiso 1 1 calc R . .
C29 C 0.2462(4) 0.2212(4) 0.2908(2) 0.0679(14) Uani 1 1 d . . .
H29A H 0.2690 0.2300 0.3321 0.081 Uiso 1 1 calc R . .
C30 C 0.3183(5) 0.2729(4) 0.2640(3) 0.0726(15) Uani 1 1 d . . .
H30A H 0.3898 0.3171 0.2867 0.087 Uiso 1 1 calc R . .
C31 C 0.2841(5) 0.2587(4) 0.2033(3) 0.0749(16) Uani 1 1 d . . .
H31A H 0.3328 0.2930 0.1844 0.090 Uiso 1 1 calc R . .
C32 C 0.1782(4) 0.1942(3) 0.1700(2) 0.0614(13) Uani 1 1 d . . .
H32A H 0.1561 0.1851 0.1287 0.074 Uiso 1 1 calc R . .
C33 C -0.1001(3) -0.1404(3) -0.01263(16) 0.0324(8) Uani 1 1 d . . .
C34 C -0.1582(3) -0.2262(3) -0.02534(18) 0.0382(9) Uani 1 1 d . . .
C35 C -0.2292(3) -0.3284(3) -0.04523(18) 0.0393(9) Uani 1 1 d . . .
C36 C -0.3320(4) -0.3682(3) -0.0381(2) 0.0527(11) Uani 1 1 d . . .
H36A H -0.3563 -0.3283 -0.0199 0.063 Uiso 1 1 calc R . .
C37 C -0.3989(4) -0.4666(3) -0.0579(2) 0.0567(12) Uani 1 1 d . . .
H37A H -0.4676 -0.4912 -0.0525 0.068 Uiso 1 1 calc R . .
C38 C -0.3680(4) -0.5293(3) -0.0852(2) 0.0519(11) Uani 1 1 d . . .
C39 C -0.2654(4) -0.4885(3) -0.0933(2) 0.0643(14) Uani 1 1 d . . .
H39A H -0.2421 -0.5282 -0.1126 0.077 Uiso 1 1 calc R . .
C40 C -0.1971(4) -0.3902(3) -0.0731(2) 0.0574(13) Uani 1 1 d . . .
H40A H -0.1284 -0.3654 -0.0785 0.069 Uiso 1 1 calc R . .
C41 C -0.4402(5) -0.6397(3) -0.1071(3) 0.0757(16) Uani 1 1 d . . .
C42 C -0.3788(8) -0.6888(5) -0.0775(6) 0.201(6) Uani 1 1 d . . .
H42A H -0.3675 -0.6736 -0.0352 0.301 Uiso 1 1 calc R . .
H42B H -0.3090 -0.6670 -0.0843 0.301 Uiso 1 1 calc R . .
H42C H -0.4202 -0.7574 -0.0936 0.301 Uiso 1 1 calc R . .
C43 C -0.5488(6) -0.6711(4) -0.1000(5) 0.177(5) Uani 1 1 d . . .
H43A H -0.5413 -0.6538 -0.0584 0.265 Uiso 1 1 calc R . .
H43B H -0.5900 -0.7399 -0.1151 0.265 Uiso 1 1 calc R . .
H43C H -0.5866 -0.6402 -0.1219 0.265 Uiso 1 1 calc R . .
C44 C -0.4546(9) -0.6725(6) -0.1739(4) 0.180(5) Uani 1 1 d . . .
H44A H -0.4997 -0.7411 -0.1878 0.270 Uiso 1 1 calc R . .
H44B H -0.3841 -0.6567 -0.1789 0.270 Uiso 1 1 calc R . .
H44C H -0.4892 -0.6402 -0.1965 0.270 Uiso 1 1 calc R . .
C45 C 0.3726(3) 0.6487(3) 0.46824(17) 0.0350(9) Uani 1 1 d . . .
H45A H 0.4325 0.7046 0.4980 0.042 Uiso 1 1 calc R . .
H45B H 0.3061 0.6564 0.4640 0.042 Uiso 1 1 calc R . .
C46 C 0.6427(3) 0.4278(3) 0.42874(16) 0.0370(9) Uani 1 1 d . . .
H46A H 0.5734 0.3723 0.4063 0.044 Uiso 1 1 calc R . .
H46B H 0.7007 0.4087 0.4292 0.044 Uiso 1 1 calc R . .
C47 C 0.4228(3) 0.7622(3) 0.38190(19) 0.0413(9) Uani 1 1 d . . .
C48 C 0.4489(5) 0.8425(3) 0.4251(2) 0.0622(14) Uani 1 1 d . . .
H48A H 0.4502 0.8375 0.4639 0.075 Uiso 1 1 calc R . .
C49 C 0.4731(5) 0.9303(4) 0.4114(3) 0.0805(18) Uani 1 1 d . . .
H49A H 0.4921 0.9845 0.4410 0.097 Uiso 1 1 calc R . .
C50 C 0.4695(5) 0.9383(4) 0.3538(3) 0.0740(16) Uani 1 1 d . . .
H50A H 0.4853 0.9977 0.3447 0.089 Uiso 1 1 calc R . .
C51 C 0.4430(5) 0.8596(4) 0.3106(3) 0.0757(16) Uani 1 1 d . . .
H51A H 0.4397 0.8646 0.2717 0.091 Uiso 1 1 calc R . .
C52 C 0.4209(5) 0.7716(4) 0.3246(2) 0.0689(14) Uani 1 1 d . . .
H52A H 0.4045 0.7181 0.2950 0.083 Uiso 1 1 calc R . .
C53 C 0.2725(4) 0.5634(3) 0.33873(18) 0.0463(10) Uani 1 1 d . . .
C54 C 0.1769(4) 0.5723(4) 0.3355(2) 0.0596(12) Uani 1 1 d . . .
H54A H 0.1781 0.6208 0.3631 0.072 Uiso 1 1 calc R . .
C55 C 0.0809(5) 0.5095(5) 0.2917(3) 0.0860(19) Uani 1 1 d . . .
H55A H 0.0168 0.5150 0.2902 0.103 Uiso 1 1 calc R . .
C56 C 0.0782(7) 0.4388(5) 0.2499(3) 0.104(3) Uani 1 1 d . . .
H56A H 0.0124 0.3960 0.2206 0.125 Uiso 1 1 calc R . .
C57 C 0.1720(8) 0.4315(4) 0.2517(3) 0.101(2) Uani 1 1 d . . .
H57A H 0.1709 0.3852 0.2225 0.121 Uiso 1 1 calc R . .
C58 C 0.2690(5) 0.4922(3) 0.2966(2) 0.0690(15) Uani 1 1 d . . .
H58A H 0.3322 0.4850 0.2983 0.083 Uiso 1 1 calc R . .
C59 C 0.2154(3) 0.4558(3) 0.45110(18) 0.0383(9) Uani 1 1 d . . .
C60 C 0.1298(3) 0.4727(3) 0.46246(19) 0.0436(10) Uani 1 1 d . . .
H60A H 0.1460 0.5254 0.4926 0.052 Uiso 1 1 calc R . .
C61 C 0.0234(4) 0.4126(3) 0.4297(2) 0.0541(11) Uani 1 1 d . . .
H61A H -0.0326 0.4236 0.4383 0.065 Uiso 1 1 calc R . .
C62 C -0.0017(4) 0.3362(4) 0.3844(2) 0.0626(13) Uani 1 1 d . . .
H62A H -0.0746 0.2950 0.3625 0.075 Uiso 1 1 calc R . .
C63 C 0.0808(4) 0.3204(3) 0.3711(2) 0.0599(12) Uani 1 1 d . . .
H63A H 0.0635 0.2694 0.3395 0.072 Uiso 1 1 calc R . .
C64 C 0.1893(4) 0.3795(3) 0.40433(18) 0.0453(10) Uani 1 1 d . . .
H64A H 0.2447 0.3681 0.3952 0.054 Uiso 1 1 calc R . .
C65 C 0.8085(3) 0.6039(3) 0.41744(19) 0.0446(10) Uani 1 1 d . . .
C66 C 0.8459(4) 0.6914(3) 0.4568(2) 0.0589(12) Uani 1 1 d . . .
H66A H 0.7960 0.7108 0.4666 0.071 Uiso 1 1 calc R . .
C67 C 0.9574(5) 0.7508(4) 0.4821(3) 0.0782(16) Uani 1 1 d . . .
H67A H 0.9821 0.8093 0.5094 0.094 Uiso 1 1 calc R . .
C68 C 1.0317(5) 0.7237(5) 0.4672(3) 0.0841(18) Uani 1 1 d . . .
H68A H 1.1066 0.7639 0.4843 0.101 Uiso 1 1 calc R . .
C69 C 0.9958(5) 0.6385(5) 0.4274(3) 0.0772(16) Uani 1 1 d . . .
H69A H 1.0464 0.6207 0.4172 0.093 Uiso 1 1 calc R . .
C70 C 0.8839(4) 0.5772(4) 0.4017(2) 0.0594(12) Uani 1 1 d . . .
H70A H 0.8598 0.5190 0.3743 0.071 Uiso 1 1 calc R . .
C71 C 0.6370(4) 0.4666(3) 0.3126(2) 0.0498(11) Uani 1 1 d . . .
C72 C 0.6008(6) 0.5058(5) 0.2685(2) 0.093(2) Uani 1 1 d . . .
H72A H 0.5835 0.5562 0.2781 0.111 Uiso 1 1 calc R . .
C73 C 0.5901(8) 0.4698(6) 0.2097(3) 0.128(3) Uani 1 1 d . . .
H73A H 0.5657 0.4965 0.1800 0.154 Uiso 1 1 calc R . .
C74 C 0.6146(7) 0.3965(5) 0.1952(3) 0.113(3) Uani 1 1 d . . .
H74A H 0.6126 0.3763 0.1562 0.136 Uiso 1 1 calc R . .
C75 C 0.6420(6) 0.3528(5) 0.2371(3) 0.099(2) Uani 1 1 d . . .
H75A H 0.6540 0.2995 0.2265 0.119 Uiso 1 1 calc R . .
C76 C 0.6525(5) 0.3871(4) 0.2962(2) 0.0756(17) Uani 1 1 d . . .
H76A H 0.6702 0.3559 0.3248 0.091 Uiso 1 1 calc R . .
C77 C 0.4035(3) 0.3570(3) 0.47458(17) 0.0358(9) Uani 1 1 d . . .
C78 C 0.3486(4) 0.2702(3) 0.45820(19) 0.0430(10) Uani 1 1 d . . .
C79 C 0.2813(4) 0.1684(3) 0.43149(19) 0.0460(10) Uani 1 1 d . . .
C80 C 0.1691(4) 0.1272(3) 0.4194(2) 0.0600(13) Uani 1 1 d . . .
H80A H 0.1369 0.1640 0.4326 0.072 Uiso 1 1 calc R . .
C81 C 0.1032(4) 0.0313(3) 0.3875(2) 0.0618(13) Uani 1 1 d . . .
H81A H 0.0276 0.0056 0.3799 0.074 Uiso 1 1 calc R . .
C82 C 0.1465(4) -0.0268(3) 0.3669(2) 0.0521(11) Uani 1 1 d . . .
C83 C 0.2594(5) 0.0158(4) 0.3806(3) 0.0833(19) Uani 1 1 d . . .
H83A H 0.2921 -0.0208 0.3678 0.100 Uiso 1 1 calc R . .
C84 C 0.3254(4) 0.1105(4) 0.4123(3) 0.0710(16) Uani 1 1 d . . .
H84A H 0.4011 0.1357 0.4209 0.085 Uiso 1 1 calc R . .
C85 C 0.0765(5) -0.1287(3) 0.3265(2) 0.0641(14) Uani 1 1 d . . .
C86 C 0.1296(6) -0.1952(4) 0.3406(3) 0.094(2) Uani 1 1 d . . .
H86A H 0.0837 -0.2586 0.3145 0.141 Uiso 1 1 calc R . .
H86B H 0.1381 -0.1988 0.3814 0.141 Uiso 1 1 calc R . .
H86C H 0.2003 -0.1699 0.3347 0.141 Uiso 1 1 calc R . .
C87 C -0.0387(5) -0.1748(4) 0.3316(3) 0.095(2) Uani 1 1 d . . .
H87A H -0.0747 -0.1355 0.3214 0.143 Uiso 1 1 calc R . .
H87B H -0.0341 -0.1800 0.3719 0.143 Uiso 1 1 calc R . .
H87C H -0.0799 -0.2380 0.3048 0.143 Uiso 1 1 calc R . .
C88 C 0.0671(6) -0.1209(4) 0.2620(3) 0.108(2) Uani 1 1 d . . .
H88A H 0.0307 -0.0818 0.2521 0.162 Uiso 1 1 calc R . .
H88B H 0.0255 -0.1843 0.2354 0.162 Uiso 1 1 calc R . .
H88C H 0.1392 -0.0919 0.2581 0.162 Uiso 1 1 calc R . .
C89 C -0.1715(5) -0.3239(4) 0.1135(3) 0.0719(15) Uani 1 1 d . . .
C90 C -0.2159(7) -0.4291(5) 0.1054(5) 0.145(4) Uani 1 1 d . . .
H90A H -0.2940 -0.4589 0.0863 0.218 Uiso 1 1 calc R . .
H90B H -0.2001 -0.4434 0.1436 0.218 Uiso 1 1 calc R . .
H90C H -0.1827 -0.4537 0.0808 0.218 Uiso 1 1 calc R . .
Cl1 Cl 0.68818(10) 0.20164(8) 0.40878(6) 0.0589(3) Uani 1 1 d . . .
Cl2 Cl 0.81762(12) 0.30712(10) 0.09894(7) 0.0706(4) Uani 1 1 d DU . .
O1 O 0.7150(6) 0.1433(4) 0.3784(4) 0.201(4) Uani 1 1 d . . .
O2 O 0.7693(3) 0.2974(3) 0.4317(2) 0.1030(17) Uani 1 1 d . . .
O3 O 0.5831(4) 0.1937(4) 0.3866(3) 0.160(3) Uani 1 1 d . . .
O4 O 0.6772(7) 0.1665(5) 0.4599(3) 0.195(3) Uani 1 1 d . . .
O5 O 0.9248(3) 0.3294(3) 0.0986(2) 0.1012(15) Uani 0.598(8) 1 d PDU A 1
O7 O 0.8033(9) 0.2634(9) 0.1478(5) 0.154(4) Uani 0.598(8) 1 d PDU A 1
O6 O 0.7405(6) 0.2309(7) 0.0476(4) 0.126(4) Uani 0.598(8) 1 d PDU A 1
O8 O 0.7857(9) 0.3783(6) 0.1044(5) 0.119(3) Uani 0.598(8) 1 d PDU A 1
O5' O 0.9248(3) 0.3294(3) 0.0986(2) 0.1012(15) Uani 0.402(8) 1 d PDU A 2
O6' O 0.7525(11) 0.2100(7) 0.0908(11) 0.125(5) Uani 0.402(8) 1 d PDU A 2
O7' O 0.7783(15) 0.3314(14) 0.0463(7) 0.168(6) Uani 0.402(8) 1 d PDU A 2
O8' O 0.8266(14) 0.3752(11) 0.1463(7) 0.135(5) Uani 0.402(8) 1 d PDU A 2
N2 N 0.6835(7) -0.2138(6) 0.3916(5) 0.183(5) Uani 1 1 d . . .
C91 C 0.7245(7) -0.1309(8) 0.4136(5) 0.127(3) Uani 1 1 d . . .
C92 C 0.7742(9) -0.0307(7) 0.4399(5) 0.176(5) Uani 1 1 d . . .
H92A H 0.7429 -0.0185 0.4700 0.264 Uiso 1 1 calc R . .
H92B H 0.7616 0.0025 0.4097 0.264 Uiso 1 1 calc R . .
H92C H 0.8517 -0.0079 0.4578 0.264 Uiso 1 1 calc 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'
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'
P P 0.1023 0.0942 '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'
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'
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
C33 Pt1 C33 180.0(2) 2 .
C33 Pt1 P2 94.81(10) 2 .
C33 Pt1 P2 85.19(10) . .
C33 Pt1 P2 85.19(10) 2 2
C33 Pt1 P2 94.81(10) . 2
P2 Pt1 P2 180.00(6) . 2
C33 Pt1 Ag1 58.83(10) 2 2
C33 Pt1 Ag1 121.17(10) . 2
P2 Pt1 Ag1 88.16(3) . 2
P2 Pt1 Ag1 91.84(3) 2 2
C33 Pt1 Ag1 121.17(10) 2 .
C33 Pt1 Ag1 58.83(10) . .
P2 Pt1 Ag1 91.84(3) . .
P2 Pt1 Ag1 88.16(3) 2 .
Ag1 Pt1 Ag1 180.000(10) 2 .
C77 Pt2 C77 180.000(1) . 2_666
C77 Pt2 P5 85.45(11) . 2_666
C77 Pt2 P5 94.55(11) 2_666 2_666
C77 Pt2 P5 94.55(11) . .
C77 Pt2 P5 85.45(11) 2_666 .
P5 Pt2 P5 180.0 2_666 .
C77 Pt2 Ag2 119.36(11) . .
C77 Pt2 Ag2 60.64(11) 2_666 .
P5 Pt2 Ag2 90.95(3) 2_666 .
P5 Pt2 Ag2 89.05(3) . .
C77 Pt2 Ag2 60.64(11) . 2_666
C77 Pt2 Ag2 119.36(11) 2_666 2_666
P5 Pt2 Ag2 89.05(3) 2_666 2_666
P5 Pt2 Ag2 90.95(3) . 2_666
Ag2 Pt2 Ag2 180.0 . 2_666
N1 Ag1 P3 115.42(10) . .
N1 Ag1 P1 98.01(11) . .
P3 Ag1 P1 137.19(4) . .
N1 Ag1 C33 94.83(13) . .
P3 Ag1 C33 111.90(8) . .
P1 Ag1 C33 89.77(8) . .
N1 Ag1 Pt1 135.12(11) . .
P3 Ag1 Pt1 84.79(3) . .
P1 Ag1 Pt1 89.86(3) . .
C33 Ag1 Pt1 40.82(8) . .
P6 Ag2 P4 160.21(4) . .
P6 Ag2 C77 102.41(8) . 2_666
P4 Ag2 C77 89.58(8) . 2_666
P6 Ag2 Pt2 87.97(3) . .
P4 Ag2 Pt2 91.29(3) . .
C77 Ag2 Pt2 40.35(8) 2_666 .
C9 P1 C1 106.15(19) . .
C9 P1 C3 102.10(19) . .
C1 P1 C3 102.82(18) . .
C9 P1 Ag1 121.35(13) . .
C1 P1 Ag1 108.25(13) . .
C3 P1 Ag1 114.41(13) . .
C15 P2 C1 104.30(19) . .
C15 P2 C2 108.1(2) . .
C1 P2 C2 101.07(17) . .
C15 P2 Pt1 118.51(14) . .
C1 P2 Pt1 114.78(12) . .
C2 P2 Pt1 108.58(14) . .
C21 P3 C27 105.47(19) . .
C21 P3 C2 103.57(19) . 2
C27 P3 C2 102.16(19) . 2
C21 P3 Ag1 118.85(14) . .
C27 P3 Ag1 108.98(12) . .
C2 P3 Ag1 116.09(12) 2 .
C53 P4 C47 102.5(2) . .
C53 P4 C45 107.30(19) . .
C47 P4 C45 104.90(18) . .
C53 P4 Ag2 118.06(15) . .
C47 P4 Ag2 114.96(14) . .
C45 P4 Ag2 108.12(13) . .
C59 P5 C46 106.58(18) . 2_666
C59 P5 C45 101.68(19) . .
C46 P5 C45 103.36(17) 2_666 .
C59 P5 Pt2 122.27(13) . .
C46 P5 Pt2 106.49(13) 2_666 .
C45 P5 Pt2 114.77(13) . .
C65 P6 C71 104.2(2) . .
C65 P6 C46 104.51(19) . .
C71 P6 C46 104.04(19) . .
C65 P6 Ag2 112.37(14) . .
C71 P6 Ag2 117.36(16) . .
C46 P6 Ag2 113.09(12) . .
C89 N1 Ag1 153.8(4) . .
P1 C1 P2 116.7(2) . .
P2 C2 P3 114.6(2) . 2
C4 C3 C8 117.2(4) . .
C4 C3 P1 120.3(3) . .
C8 C3 P1 122.3(3) . .
C3 C4 C5 121.0(5) . .
C6 C5 C4 120.8(5) . .
C5 C6 C7 119.3(5) . .
C6 C7 C8 120.1(5) . .
C3 C8 C7 121.6(5) . .
C10 C9 C14 118.8(4) . .
C10 C9 P1 122.6(3) . .
C14 C9 P1 118.5(3) . .
C9 C10 C11 120.5(5) . .
C12 C11 C10 120.2(5) . .
C11 C12 C13 120.7(5) . .
C12 C13 C14 119.5(5) . .
C13 C14 C9 120.4(5) . .
C16 C15 C20 119.4(5) . .
C16 C15 P2 122.9(4) . .
C20 C15 P2 117.2(3) . .
C15 C16 C17 118.3(6) . .
C18 C17 C16 121.0(7) . .
C17 C18 C19 121.0(7) . .
C20 C19 C18 118.9(7) . .
C19 C20 C15 121.2(6) . .
C22 C21 C26 119.2(4) . .
C22 C21 P3 119.4(3) . .
C26 C21 P3 121.5(3) . .
C23 C22 C21 120.2(5) . .
C24 C23 C22 120.3(5) . .
C25 C24 C23 120.0(5) . .
C24 C25 C26 121.2(5) . .
C25 C26 C21 119.2(5) . .
C28 C27 C32 117.5(4) . .
C28 C27 P3 123.2(3) . .
C32 C27 P3 119.0(3) . .
C27 C28 C29 121.2(5) . .
C30 C29 C28 120.8(5) . .
C29 C30 C31 119.1(5) . .
C30 C31 C32 120.3(5) . .
C31 C32 C27 121.2(5) . .
C34 C33 Pt1 173.7(3) . .
C34 C33 Ag1 104.9(3) . .
Pt1 C33 Ag1 80.35(12) . .
C33 C34 C35 175.6(4) . .
C40 C35 C36 117.6(4) . .
C40 C35 C34 120.6(4) . .
C36 C35 C34 121.8(4) . .
C35 C36 C37 120.7(4) . .
C38 C37 C36 122.6(4) . .
C37 C38 C39 116.4(4) . .
C37 C38 C41 123.9(4) . .
C39 C38 C41 119.6(4) . .
C40 C39 C38 121.6(4) . .
C35 C40 C39 121.1(4) . .
C43 C41 C42 112.7(7) . .
C43 C41 C44 108.4(7) . .
C42 C41 C44 103.6(7) . .
C43 C41 C38 113.5(5) . .
C42 C41 C38 109.0(5) . .
C44 C41 C38 109.2(5) . .
P5 C45 P4 112.67(19) . .
P5 C46 P6 114.27(19) 2_666 .
C48 C47 C52 118.6(4) . .
C48 C47 P4 124.1(3) . .
C52 C47 P4 117.2(3) . .
C47 C48 C49 120.3(5) . .
C48 C49 C50 120.4(5) . .
C51 C50 C49 119.9(5) . .
C50 C51 C52 119.8(5) . .
C51 C52 C47 121.0(5) . .
C58 C53 C54 118.8(5) . .
C58 C53 P4 120.1(4) . .
C54 C53 P4 121.1(3) . .
C55 C54 C53 120.0(5) . .
C54 C55 C56 120.8(7) . .
C57 C56 C55 119.6(6) . .
C56 C57 C58 120.6(6) . .
C53 C58 C57 120.2(6) . .
C64 C59 C60 118.5(4) . .
C64 C59 P5 122.3(3) . .
C60 C59 P5 119.0(3) . .
C61 C60 C59 120.5(4) . .
C60 C61 C62 120.5(4) . .
C61 C62 C63 120.0(4) . .
C62 C63 C64 120.6(4) . .
C59 C64 C63 119.9(4) . .
C66 C65 C70 119.2(4) . .
C66 C65 P6 118.5(3) . .
C70 C65 P6 122.2(4) . .
C65 C66 C67 120.3(5) . .
C68 C67 C66 120.3(6) . .
C69 C68 C67 119.9(6) . .
C68 C69 C70 120.8(5) . .
C65 C70 C69 119.4(5) . .
C76 C71 C72 118.4(5) . .
C76 C71 P6 124.4(4) . .
C72 C71 P6 117.2(4) . .
C71 C72 C73 119.7(6) . .
C74 C73 C72 120.7(7) . .
C75 C74 C73 120.0(6) . .
C74 C75 C76 120.1(6) . .
C71 C76 C75 120.6(6) . .
C78 C77 Pt2 177.1(3) . .
C78 C77 Ag2 102.4(3) . 2_666
Pt2 C77 Ag2 79.01(12) . 2_666
C77 C78 C79 173.1(4) . .
C84 C79 C80 117.4(4) . .
C84 C79 C78 121.1(4) . .
C80 C79 C78 121.3(4) . .
C79 C80 C81 121.0(4) . .
C82 C81 C80 122.0(5) . .
C81 C82 C83 115.8(4) . .
C81 C82 C85 123.6(5) . .
C83 C82 C85 120.4(4) . .
C84 C83 C82 122.7(5) . .
C79 C84 C83 121.1(5) . .
C87 C85 C82 112.6(4) . .
C87 C85 C86 108.1(5) . .
C82 C85 C86 111.5(5) . .
C87 C85 C88 108.5(5) . .
C82 C85 C88 107.2(4) . .
C86 C85 C88 108.8(5) . .
N1 C89 C90 177.8(8) . .
O1 Cl1 O3 118.0(5) . .
O1 Cl1 O2 115.4(3) . .
O3 Cl1 O2 113.2(3) . .
O1 Cl1 O4 104.1(5) . .
O3 Cl1 O4 98.6(5) . .
O2 Cl1 O4 104.4(4) . .
O8 Cl2 O6' 126.3(8) . .
O8 Cl2 O8' 44.6(7) . .
O6' Cl2 O8' 121.0(12) . .
O8 Cl2 O5 119.9(5) . .
O6' Cl2 O5 113.8(7) . .
O8' Cl2 O5 106.6(7) . .
O8 Cl2 O7' 62.6(9) . .
O6' Cl2 O7' 106.5(11) . .
O8' Cl2 O7' 106.6(11) . .
O5 Cl2 O7' 100.0(9) . .
O8 Cl2 O6 109.0(6) . .
O6' Cl2 O6 46.6(8) . .
O8' Cl2 O6 143.2(8) . .
O5 Cl2 O6 109.6(4) . .
O7' Cl2 O6 61.4(8) . .
O8 Cl2 O7 107.2(6) . .
O6' Cl2 O7 57.3(9) . .
O8' Cl2 O7 71.4(9) . .
O5 Cl2 O7 106.5(5) . .
O7' Cl2 O7 152.9(9) . .
O6 Cl2 O7 103.3(6) . .
N2 C91 C92 179.6(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C33 2.006(4) 2
Pt1 C33 2.006(4) .
Pt1 P2 2.3102(9) .
Pt1 P2 2.3102(9) 2
Pt1 Ag1 3.0258(4) 2
Pt1 Ag1 3.0258(4) .
Pt2 C77 2.006(4) .
Pt2 C77 2.006(4) 2_666
Pt2 P5 2.3165(10) 2_666
Pt2 P5 2.3165(10) .
Pt2 Ag2 3.0409(5) .
Pt2 Ag2 3.0409(5) 2_666
Ag1 N1 2.440(4) .
Ag1 P3 2.4455(10) .
Ag1 P1 2.4832(10) .
Ag1 C33 2.626(4) .
Ag2 P6 2.4109(10) .
Ag2 P4 2.4216(11) .
Ag2 C77 2.700(4) 2_666
P1 C9 1.826(4) .
P1 C1 1.827(4) .
P1 C3 1.828(4) .
P2 C15 1.808(4) .
P2 C1 1.827(4) .
P2 C2 1.828(4) .
P3 C21 1.817(4) .
P3 C27 1.832(4) .
P3 C2 1.855(4) 2
P4 C53 1.808(5) .
P4 C47 1.825(4) .
P4 C45 1.839(4) .
P5 C59 1.815(4) .
P5 C46 1.823(4) 2_666
P5 C45 1.838(4) .
P6 C65 1.817(4) .
P6 C71 1.822(4) .
P6 C46 1.842(4) .
N1 C89 1.104(6) .
C2 P3 1.855(4) 2
C3 C4 1.366(6) .
C3 C8 1.371(6) .
C4 C5 1.378(6) .
C5 C6 1.348(7) .
C6 C7 1.353(7) .
C7 C8 1.376(7) .
C9 C10 1.377(6) .
C9 C14 1.388(6) .
C10 C11 1.379(7) .
C11 C12 1.357(8) .
C12 C13 1.372(8) .
C13 C14 1.383(7) .
C15 C16 1.355(6) .
C15 C20 1.387(7) .
C16 C17 1.415(9) .
C17 C18 1.322(11) .
C18 C19 1.365(11) .
C19 C20 1.362(7) .
C21 C22 1.381(6) .
C21 C26 1.399(6) .
C22 C23 1.380(6) .
C23 C24 1.374(7) .
C24 C25 1.354(8) .
C25 C26 1.384(6) .
C27 C28 1.366(6) .
C27 C32 1.389(6) .
C28 C29 1.378(7) .
C29 C30 1.362(8) .
C30 C31 1.367(7) .
C31 C32 1.373(7) .
C33 C34 1.205(5) .
C34 C35 1.439(5) .
C35 C40 1.380(6) .
C35 C36 1.382(6) .
C36 C37 1.382(6) .
C37 C38 1.372(6) .
C38 C39 1.392(6) .
C38 C41 1.545(6) .
C39 C40 1.385(6) .
C41 C43 1.460(8) .
C41 C42 1.486(10) .
C41 C44 1.542(10) .
C46 P5 1.823(4) 2_666
C47 C48 1.375(6) .
C47 C52 1.384(6) .
C48 C49 1.375(7) .
C49 C50 1.380(8) .
C50 C51 1.356(7) .
C51 C52 1.384(7) .
C53 C58 1.377(6) .
C53 C54 1.388(6) .
C54 C55 1.368(7) .
C55 C56 1.369(10) .
C56 C57 1.358(10) .
C57 C58 1.380(9) .
C59 C64 1.382(5) .
C59 C60 1.405(5) .
C60 C61 1.360(6) .
C61 C62 1.366(7) .
C62 C63 1.371(7) .
C63 C64 1.382(6) .
C65 C66 1.373(6) .
C65 C70 1.390(6) .
C66 C67 1.383(7) .
C67 C68 1.372(8) .
C68 C69 1.354(8) .
C69 C70 1.394(7) .
C71 C76 1.369(7) .
C71 C72 1.376(7) .
C72 C73 1.388(8) .
C73 C74 1.350(10) .
C74 C75 1.344(10) .
C75 C76 1.389(7) .
C77 C78 1.211(5) .
C77 Ag2 2.700(4) 2_666
C78 C79 1.441(6) .
C79 C84 1.374(6) .
C79 C80 1.376(6) .
C80 C81 1.392(6) .
C81 C82 1.381(6) .
C82 C83 1.382(7) .
C82 C85 1.526(6) .
C83 C84 1.377(7) .
C85 C87 1.524(8) .
C85 C86 1.528(8) .
C85 C88 1.531(8) .
C89 C90 1.472(8) .
Cl1 O1 1.316(5) .
Cl1 O3 1.391(5) .
Cl1 O2 1.399(4) .
Cl1 O4 1.409(7) .
Cl2 O8 1.358(6) .
Cl2 O6' 1.377(8) .
Cl2 O8' 1.392(9) .
Cl2 O5 1.402(4) .
Cl2 O7' 1.405(9) .
Cl2 O6 1.431(6) .
Cl2 O7 1.434(7) .
N2 C91 1.169(12) .
C91 C92 1.412(12) .
