#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/4/4301009.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_4301009
_journal_name_full  'Inorganic Chemistry'
_journal_year      2005
_chemical_formula_moiety  'C62 H48 N4 O2 Pt S2, 2(C3 H6 O), O'
_chemical_formula_sum  'C68 H62 N4 O5 Pt S2'
_chemical_formula_weight  1274.43
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_Int_Tables_number  14
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'
_cell_length_a  16.522(4)
_cell_length_b  19.518(5)
_cell_length_c  17.644(3)
_cell_angle_alpha  90.00
_cell_angle_beta  95.624(9)
_cell_angle_gamma  90.00
_cell_volume  5662(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  200(2)
_exptl_crystal_density_diffrn  1.495
_diffrn_ambient_temperature  200(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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.454976(11) 0.109973(11) 0.071103(10) 0.02410(5) Uani 1 1 d . . .
S1 S 0.44990(8) 0.13640(7) 0.19666(7) 0.0343(4) Uani 1 1 d . . .
S2 S 0.55030(6) 0.19198(7) 0.05333(6) 0.0263(3) Uani 1 1 d . . .
O1 O 0.30388(16) 0.34475(18) 0.26719(16) 0.0344(9) Uani 1 1 d . . .
O2 O 0.67117(16) 0.40444(18) -0.01761(16) 0.0344(10) Uani 1 1 d . . .
O3 O 0.8922(3) 0.0258(3) 0.9976(3) 0.1014(19) Uani 1 1 d . . .
O4 O 0.9827(3) 0.0314(2) 0.2186(2) 0.0872(16) Uani 1 1 d . . .
O5 O 0.1742(3) -0.0066(3) 0.8621(2) 0.1158(19) Uani 1 1 d . . .
N1 N 0.3553(2) 0.2690(2) 0.18757(18) 0.0258(10) Uani 1 1 d . . .
H1 H 0.3487 0.2382 0.1575 0.031 Uiso 1 1 d . . .
N2 N 0.6260(2) 0.3289(2) 0.06472(18) 0.0256(10) Uani 1 1 d . . .
H2 H 0.6327 0.2980 0.1063 0.031 Uiso 1 1 d . . .
N31 N 0.4451(2) 0.07714(19) -0.03946(19) 0.0244(10) Uani 1 1 d . . .
N41 N 0.3779(2) 0.0268(2) 0.0767(2) 0.0272(10) Uani 1 1 d . . .
C11 C 0.4885(3) 0.2187(3) 0.2186(2) 0.0236(12) Uani 1 1 d . . .
C12 C 0.4392(2) 0.2771(3) 0.2156(2) 0.0216(12) Uani 1 1 d . . .
C13 C 0.4705(3) 0.3402(3) 0.2347(2) 0.0322(13) Uani 1 1 d . . .
H13 H 0.4357 0.3791 0.2319 0.039 Uiso 1 1 calc R . .
C14 C 0.5521(3) 0.3480(3) 0.2579(2) 0.0385(15) Uani 1 1 d . . .
H14 H 0.5734 0.3922 0.2708 0.046 Uiso 1 1 calc R . .
C15 C 0.6020(3) 0.2928(3) 0.2623(2) 0.0380(16) Uani 1 1 d . . .
H15 H 0.6582 0.2979 0.2786 0.046 Uiso 1 1 calc R . .
C16 C 0.5705(3) 0.2291(3) 0.2428(2) 0.0401(16) Uani 1 1 d . . .
H16 H 0.6061 0.1907 0.2461 0.048 Uiso 1 1 calc R . .
C17 C 0.2939(2) 0.3051(3) 0.2143(2) 0.0239(12) Uani 1 1 d . . .
C18 C 0.2067(2) 0.2945(2) 0.1720(2) 0.0186(11) Uani 1 1 d . . .
C21 C 0.4982(3) 0.2681(3) 0.0298(2) 0.0235(12) Uani 1 1 d . . .
C22 C 0.5415(2) 0.3311(3) 0.0357(2) 0.0209(12) Uani 1 1 d . . .
C23 C 0.5043(2) 0.3921(3) 0.0172(2) 0.0328(12) Uani 1 1 d . . .
H23 H 0.5345 0.4335 0.0230 0.039 Uiso 1 1 calc R . .
C24 C 0.4227(2) 0.3940(3) -0.0098(2) 0.0401(13) Uani 1 1 d . . .
H24 H 0.3970 0.4365 -0.0229 0.048 Uiso 1 1 calc R . .
C25 C 0.3795(3) 0.3341(3) -0.0173(2) 0.0302(13) Uani 1 1 d . . .
H25 H 0.3236 0.3352 -0.0358 0.036 Uiso 1 1 calc R . .
C26 C 0.4159(2) 0.2723(3) 0.0016(2) 0.0304(13) Uani 1 1 d . . .
H26 H 0.3847 0.2315 -0.0046 0.036 Uiso 1 1 calc R . .
C27 C 0.6844(3) 0.3670(2) 0.0361(2) 0.0238(12) Uani 1 1 d . . .
C28 C 0.7728(2) 0.3626(2) 0.0788(2) 0.0206(12) Uani 1 1 d . . .
C32 C 0.3948(3) 0.0217(3) -0.0559(3) 0.0266(12) Uani 1 1 d . . .
C33 C 0.3808(3) -0.0029(3) -0.1286(3) 0.0401(15) Uani 1 1 d . . .
H33 H 0.3454 -0.0408 -0.1388 0.048 Uiso 1 1 calc R . .
C34 C 0.4176(3) 0.0267(3) -0.1872(3) 0.0403(15) Uani 1 1 d . . .
H34 H 0.4082 0.0097 -0.2377 0.048 Uiso 1 1 calc R . .
C35 C 0.4675(3) 0.0807(3) -0.1710(2) 0.0343(14) Uani 1 1 d . . .
H35 H 0.4939 0.1017 -0.2104 0.041 Uiso 1 1 calc R . .
C36 C 0.4803(2) 0.1056(3) -0.0972(2) 0.0294(11) Uani 1 1 d . . .
H36 H 0.5151 0.1439 -0.0873 0.035 Uiso 1 1 calc R . .
C42 C 0.3598(3) -0.0067(3) 0.0107(3) 0.0298(13) Uani 1 1 d . . .
C43 C 0.3113(3) -0.0629(3) 0.0084(3) 0.0420(15) Uani 1 1 d . . .
H43 H 0.2972 -0.0855 -0.0387 0.050 Uiso 1 1 calc R . .
C44 C 0.2823(3) -0.0876(3) 0.0742(3) 0.0555(18) Uani 1 1 d . . .
H44 H 0.2494 -0.1276 0.0726 0.067 Uiso 1 1 calc R . .
C45 C 0.3013(3) -0.0538(3) 0.1412(3) 0.0475(16) Uani 1 1 d . . .
H45 H 0.2817 -0.0700 0.1868 0.057 Uiso 1 1 calc R . .
C46 C 0.3494(3) 0.0043(3) 0.1425(3) 0.0369(14) Uani 1 1 d . . .
H46 H 0.3626 0.0283 0.1888 0.044 Uiso 1 1 calc R . .
C51 C 0.9507(5) 0.1257(3) 1.0506(3) 0.140(4) Uani 1 1 d . . .
H51A H 0.9294 0.1103 1.0977 0.169 Uiso 1 1 calc R . .
H51B H 0.9275 0.1705 1.0360 0.169 Uiso 1 1 calc R . .
H51C H 1.0100 0.1293 1.0588 0.169 Uiso 1 1 calc R . .
C52 C 0.9290(5) 0.0777(4) 0.9918(5) 0.094(3) Uani 1 1 d . . .
C53 C 0.9632(4) 0.0927(4) 0.9190(3) 0.105(3) Uani 1 1 d . . .
H53A H 0.9495 0.0554 0.8829 0.126 Uiso 1 1 calc R . .
H53B H 1.0224 0.0969 0.9282 0.126 Uiso 1 1 calc R . .
H53C H 0.9402 0.1357 0.8979 0.126 Uiso 1 1 calc R . .
C54 C 1.0398(4) 0.0212(3) 0.3442(3) 0.073(2) Uani 1 1 d . . .
H54A H 0.9833 0.0139 0.3549 0.087 Uiso 1 1 calc R . .
H54B H 1.0618 0.0615 0.3722 0.087 Uiso 1 1 calc R . .
H54C H 1.0723 -0.0191 0.3602 0.087 Uiso 1 1 calc R . .
C55 C 1.0425(4) 0.0322(3) 0.2626(4) 0.0600(19) Uani 1 1 d . . .
C56 C 1.1236(4) 0.0441(3) 0.2358(3) 0.093(2) Uani 1 1 d . . .
H56A H 1.1176 0.0517 0.1807 0.111 Uiso 1 1 calc R . .
H56B H 1.1581 0.0039 0.2477 0.111 Uiso 1 1 calc R . .
H56C H 1.1486 0.0845 0.2614 0.111 Uiso 1 1 calc R . .
C101 C 0.2066(2) 0.2491(3) 0.1000(2) 0.0267(12) Uani 1 1 d . . .
C102 C 0.2182(2) 0.1795(3) 0.1083(3) 0.0294(13) Uani 1 1 d . . .
H102 H 0.2290 0.1607 0.1579 0.035 Uiso 1 1 calc R . .
C103 C 0.2145(2) 0.1360(3) 0.0452(3) 0.0350(14) Uani 1 1 d . . .
H103 H 0.2228 0.0882 0.0521 0.042 Uiso 1 1 calc R . .
C104 C 0.1987(3) 0.1625(3) -0.0270(3) 0.0469(16) Uani 1 1 d . . .
H104 H 0.1960 0.1332 -0.0702 0.056 Uiso 1 1 calc R . .
C105 C 0.1868(3) 0.2319(3) -0.0359(3) 0.0448(16) Uani 1 1 d . . .
H105 H 0.1756 0.2501 -0.0858 0.054 Uiso 1 1 calc R . .
C106 C 0.1907(2) 0.2768(3) 0.0267(2) 0.0279(13) Uani 1 1 d . . .
H106 H 0.1828 0.3246 0.0196 0.034 Uiso 1 1 calc R . .
C107 C 0.1497(2) 0.2627(2) 0.2268(2) 0.0198(11) Uani 1 1 d . . .
C108 C 0.0761(3) 0.2359(2) 0.1957(2) 0.0287(13) Uani 1 1 d . . .
H108 H 0.0649 0.2338 0.1419 0.034 Uiso 1 1 calc R . .
C109 C 0.0192(3) 0.2122(3) 0.2408(3) 0.0415(15) Uani 1 1 d . . .
H109 H -0.0314 0.1952 0.2182 0.050 Uiso 1 1 calc R . .
C110 C 0.0350(3) 0.2131(3) 0.3190(3) 0.0356(14) Uani 1 1 d . . .
H110 H -0.0043 0.1963 0.3503 0.043 Uiso 1 1 calc R . .
C111 C 0.1083(3) 0.2387(3) 0.3515(3) 0.0325(14) Uani 1 1 d . . .
H111 H 0.1197 0.2399 0.4054 0.039 Uiso 1 1 calc R . .
C112 C 0.1654(3) 0.2625(2) 0.3050(2) 0.0297(13) Uani 1 1 d . . .
H112 H 0.2163 0.2790 0.3275 0.036 Uiso 1 1 calc R . .
C113 C 0.1797(3) 0.3681(2) 0.1525(2) 0.0225(12) Uani 1 1 d . . .
C114 C 0.1036(3) 0.3945(3) 0.1659(2) 0.0308(12) Uani 1 1 d . . .
H114 H 0.0656 0.3653 0.1870 0.037 Uiso 1 1 calc R . .
C115 C 0.0822(3) 0.4612(3) 0.1496(3) 0.0434(15) Uani 1 1 d . . .
H115 H 0.0301 0.4773 0.1599 0.052 Uiso 1 1 calc R . .
C116 C 0.1351(3) 0.5050(3) 0.1186(3) 0.0474(16) Uani 1 1 d . . .
H116 H 0.1202 0.5512 0.1076 0.057 Uiso 1 1 calc R . .
C117 C 0.2102(3) 0.4804(3) 0.1040(3) 0.0467(16) Uani 1 1 d . . .
H117 H 0.2472 0.5097 0.0818 0.056 Uiso 1 1 calc R . .
C118 C 0.2319(3) 0.4146(3) 0.1211(2) 0.0366(15) Uani 1 1 d . . .
H118 H 0.2846 0.3995 0.1114 0.044 Uiso 1 1 calc R . .
C119 C 0.7815(2) 0.3112(3) 0.1458(3) 0.0217(12) Uani 1 1 d . . .
C120 C 0.7696(3) 0.2413(3) 0.1309(3) 0.0299(13) Uani 1 1 d . . .
H120 H 0.7520 0.2272 0.0804 0.036 Uiso 1 1 calc R . .
C121 C 0.7828(3) 0.1914(3) 0.1881(3) 0.0396(15) Uani 1 1 d . . .
H121 H 0.7730 0.1443 0.1774 0.048 Uiso 1 1 calc R . .
C122 C 0.8107(3) 0.2135(3) 0.2605(3) 0.0422(15) Uani 1 1 d . . .
H122 H 0.8217 0.1807 0.3001 0.051 Uiso 1 1 calc R . .
C123 C 0.8226(3) 0.2818(3) 0.2762(3) 0.0337(14) Uani 1 1 d . . .
H123 H 0.8408 0.2958 0.3266 0.040 Uiso 1 1 calc R . .
C124 C 0.8084(2) 0.3308(3) 0.2191(2) 0.0274(12) Uani 1 1 d . . .
H124 H 0.8173 0.3779 0.2307 0.033 Uiso 1 1 calc R . .
C125 C 0.8328(2) 0.3397(2) 0.0212(2) 0.0245(12) Uani 1 1 d . . .
C126 C 0.8107(3) 0.3224(3) -0.0542(2) 0.0331(14) Uani 1 1 d . . .
H126 H 0.7551 0.3247 -0.0739 0.040 Uiso 1 1 calc R . .
C127 C 0.8687(3) 0.3018(3) -0.1013(3) 0.0436(16) Uani 1 1 d . . .
H127 H 0.8527 0.2907 -0.1531 0.052 Uiso 1 1 calc R . .
C128 C 0.9492(3) 0.2972(3) -0.0736(3) 0.0458(16) Uani 1 1 d . . .
H128 H 0.9888 0.2826 -0.1057 0.055 Uiso 1 1 calc R . .
C129 C 0.9716(3) 0.3140(3) 0.0009(3) 0.0425(16) Uani 1 1 d . . .
H129 H 1.0272 0.3121 0.0204 0.051 Uiso 1 1 calc R . .
C130 C 0.9136(3) 0.3339(3) 0.0476(3) 0.0331(13) Uani 1 1 d . . .
H130 H 0.9300 0.3438 0.0995 0.040 Uiso 1 1 calc R . .
C131 C 0.7860(3) 0.4369(3) 0.1050(2) 0.0221(12) Uani 1 1 d . . .
C132 C 0.8476(3) 0.4785(3) 0.0835(3) 0.0335(13) Uani 1 1 d . . .
H132 H 0.8859 0.4602 0.0522 0.040 Uiso 1 1 calc R . .
C133 C 0.8544(3) 0.5453(3) 0.1065(3) 0.0412(14) Uani 1 1 d . . .
H133 H 0.8969 0.5726 0.0899 0.049 Uiso 1 1 calc R . .
C134 C 0.8006(3) 0.5746(3) 0.1539(3) 0.0466(16) Uani 1 1 d . . .
H134 H 0.8063 0.6208 0.1705 0.056 Uiso 1 1 calc R . .
C135 C 0.7392(3) 0.5334(3) 0.1754(3) 0.0456(16) Uani 1 1 d . . .
H135 H 0.7013 0.5517 0.2071 0.055 Uiso 1 1 calc R . .
C136 C 0.7311(3) 0.4656(3) 0.1518(3) 0.0342(13) Uani 1 1 d . . .
H136 H 0.6880 0.4385 0.1675 0.041 Uiso 1 1 calc R . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1 0.02216(8) 0.02041(10) 0.03054(9) 0.00450(13) 0.00658(6) 0.00071(13)
S1 0.0455(8) 0.0250(9) 0.0348(7) 0.0010(6) 0.0165(7) 0.0031(7)
S2 0.0210(6) 0.0229(9) 0.0354(7) 0.0032(6) 0.0045(6) -0.0016(6)
O1 0.0219(18) 0.049(3) 0.0329(19) -0.0195(19) 0.0033(15) -0.0001(17)
O2 0.0254(18) 0.038(3) 0.0387(19) 0.0194(19) -0.0008(15) -0.0068(17)
O3 0.093(4) 0.104(6) 0.103(4) 0.002(4) -0.013(3) -0.022(4)
O4 0.094(4) 0.082(4) 0.077(3) 0.003(3) -0.033(3) -0.008(3)
O5 0.089(4) 0.139(6) 0.120(4) 0.010(4) 0.014(3) 0.009(3)
N1 0.023(2) 0.028(3) 0.025(2) -0.011(2) -0.0041(18) 0.0047(19)
N2 0.024(2) 0.028(3) 0.025(2) 0.0062(19) 0.0028(18) -0.0044(19)
N31 0.026(2) 0.017(3) 0.032(2) 0.006(2) 0.0079(19) -0.0023(19)
N41 0.023(2) 0.018(3) 0.041(3) 0.011(2) 0.007(2) 0.0055(19)
C11 0.024(3) 0.033(4) 0.014(2) 0.003(2) 0.002(2) 0.005(2)
C12 0.017(3) 0.031(4) 0.017(2) -0.002(2) -0.002(2) -0.002(2)
C13 0.020(3) 0.032(4) 0.045(3) -0.009(3) 0.008(2) -0.001(2)
C14 0.030(3) 0.052(5) 0.034(3) -0.012(3) 0.006(3) -0.020(3)
C15 0.016(3) 0.078(5) 0.019(3) -0.001(3) -0.003(2) 0.000(3)
C16 0.021(3) 0.073(5) 0.029(3) -0.006(3) 0.010(2) 0.011(3)
C17 0.021(3) 0.028(4) 0.023(3) 0.001(2) 0.005(2) 0.003(2)
C18 0.014(2) 0.021(3) 0.021(3) -0.004(2) 0.002(2) 0.001(2)
C21 0.017(3) 0.040(4) 0.015(2) 0.000(2) 0.007(2) -0.001(2)
C22 0.013(2) 0.031(4) 0.019(3) -0.001(2) 0.005(2) -0.003(2)
C23 0.027(2) 0.031(3) 0.041(3) 0.005(3) 0.007(2) 0.000(3)
C24 0.026(3) 0.039(4) 0.058(3) 0.013(3) 0.014(2) 0.010(3)
C25 0.020(3) 0.033(4) 0.038(3) 0.006(3) 0.001(2) 0.002(3)
C26 0.019(3) 0.041(4) 0.032(3) 0.006(3) 0.006(2) -0.007(2)
C27 0.028(3) 0.018(3) 0.025(3) 0.000(2) 0.002(2) -0.001(2)
C28 0.015(2) 0.022(3) 0.024(3) -0.001(2) 0.000(2) -0.002(2)
C32 0.021(3) 0.022(3) 0.035(3) 0.004(3) -0.006(2) 0.008(2)
C33 0.029(3) 0.032(4) 0.059(4) -0.012(3) 0.001(3) -0.005(3)
C34 0.035(3) 0.050(5) 0.033(3) -0.009(3) -0.007(3) 0.002(3)
C35 0.030(3) 0.047(4) 0.026(3) 0.005(3) 0.000(2) 0.000(3)
C36 0.032(3) 0.020(3) 0.037(3) 0.006(3) 0.005(2) 0.003(3)
C42 0.025(3) 0.017(3) 0.046(3) 0.006(3) -0.004(3) 0.001(2)
C43 0.039(3) 0.039(4) 0.047(3) 0.008(3) -0.002(3) -0.004(3)
C44 0.039(3) 0.035(5) 0.091(5) 0.015(4) -0.002(3) -0.015(3)
C45 0.031(3) 0.040(5) 0.072(4) 0.031(4) 0.009(3) -0.005(3)
C46 0.036(3) 0.024(4) 0.052(4) 0.011(3) 0.009(3) 0.007(3)
C51 0.307(11) 0.058(7) 0.050(5) -0.012(4) -0.017(6) -0.035(7)
C52 0.127(8) 0.065(7) 0.081(6) 0.024(6) -0.040(6) 0.004(5)
C53 0.157(7) 0.088(8) 0.074(5) 0.011(5) 0.033(5) 0.018(6)
C54 0.100(5) 0.055(6) 0.064(5) -0.009(4) 0.011(4) -0.011(4)
C55 0.085(5) 0.031(5) 0.062(5) 0.003(4) -0.002(4) 0.002(4)
C56 0.098(6) 0.077(7) 0.110(6) 0.019(5) 0.047(5) -0.001(5)
C101 0.014(2) 0.037(4) 0.030(3) -0.009(3) 0.008(2) -0.006(2)
C102 0.021(3) 0.033(4) 0.034(3) -0.002(3) 0.000(2) 0.003(2)
C103 0.035(3) 0.027(4) 0.041(3) -0.014(3) -0.005(3) 0.001(2)
C104 0.033(3) 0.056(5) 0.053(4) -0.021(4) 0.013(3) 0.002(3)
C105 0.029(3) 0.071(5) 0.036(3) -0.011(3) 0.011(3) -0.008(3)
C106 0.022(3) 0.035(4) 0.027(3) -0.002(3) 0.002(2) -0.002(2)
C107 0.017(2) 0.019(3) 0.024(3) -0.005(2) 0.006(2) 0.001(2)
C108 0.028(3) 0.029(4) 0.030(3) 0.001(2) 0.012(2) -0.002(2)
C109 0.025(3) 0.046(4) 0.055(4) -0.001(3) 0.012(3) -0.008(3)
C110 0.042(4) 0.020(4) 0.049(4) 0.008(3) 0.024(3) 0.004(3)
C111 0.043(3) 0.032(4) 0.022(3) 0.012(3) -0.001(3) 0.011(3)
C112 0.026(3) 0.033(4) 0.031(3) 0.002(3) 0.010(2) 0.004(2)
C113 0.022(3) 0.029(4) 0.017(2) -0.004(2) 0.001(2) -0.010(2)
C114 0.032(3) 0.029(3) 0.033(3) 0.010(3) 0.009(2) 0.007(3)
C115 0.039(3) 0.048(5) 0.045(3) 0.004(3) 0.010(3) 0.017(3)
C116 0.056(4) 0.035(4) 0.051(4) 0.008(3) 0.005(3) 0.004(3)
C117 0.044(4) 0.049(5) 0.047(4) 0.017(3) 0.004(3) -0.015(3)
C118 0.032(3) 0.038(4) 0.039(3) 0.012(3) 0.001(2) 0.000(3)
C119 0.009(2) 0.026(4) 0.030(3) 0.001(3) 0.005(2) 0.003(2)
C120 0.028(3) 0.035(4) 0.027(3) 0.000(3) 0.000(2) -0.003(3)
C121 0.022(3) 0.034(4) 0.063(4) 0.011(3) 0.004(3) -0.004(3)
C122 0.020(3) 0.050(5) 0.057(4) 0.021(3) 0.005(3) 0.001(3)
C123 0.026(3) 0.041(4) 0.033(3) 0.008(3) 0.002(2) 0.000(3)
C124 0.025(3) 0.026(3) 0.031(3) -0.005(3) 0.002(2) -0.006(2)
C125 0.019(3) 0.026(3) 0.029(3) 0.006(2) 0.005(2) 0.002(2)
C126 0.031(3) 0.041(4) 0.026(3) -0.001(3) -0.001(2) 0.000(3)
C127 0.046(4) 0.045(4) 0.040(3) -0.006(3) 0.006(3) -0.008(3)
C128 0.037(3) 0.052(5) 0.052(4) -0.012(3) 0.021(3) -0.002(3)
C129 0.024(3) 0.063(5) 0.042(3) 0.004(3) 0.010(3) 0.005(3)
C130 0.033(3) 0.040(4) 0.026(3) 0.000(3) 0.000(2) 0.002(3)
C131 0.023(3) 0.021(3) 0.021(3) 0.002(2) -0.003(2) 0.001(2)
C132 0.030(3) 0.022(4) 0.048(3) -0.002(3) 0.004(3) -0.009(3)
C133 0.049(4) 0.025(4) 0.049(3) 0.012(3) 0.001(3) -0.010(3)
C134 0.053(4) 0.028(4) 0.056(4) 0.000(3) -0.013(3) 0.002(3)
C135 0.047(4) 0.032(4) 0.058(4) 0.000(3) 0.004(3) 0.017(3)
C136 0.036(3) 0.023(4) 0.044(3) -0.006(3) 0.007(3) -0.008(3)
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
Pt1 N31 2.045(3) . ?
Pt1 N41 2.071(4) . ?
Pt1 S1 2.2841(12) . ?
Pt1 S2 2.2886(13) . ?
S1 C11 1.758(5) . ?
S2 C21 1.747(5) . ?
O1 C17 1.210(5) . ?
O2 C27 1.200(5) . ?
O3 C52 1.191(8) . ?
O4 C55 1.195(6) . ?
N1 C17 1.357(5) . ?
N1 C12 1.434(5) . ?
N1 H1 0.803(3) . ?
N2 C27 1.355(5) . ?
N2 C22 1.440(5) . ?
N2 H2 0.948(3) . ?
N31 C36 1.343(5) . ?
N31 C32 1.378(5) . ?
N41 C42 1.343(5) . ?
N41 C46 1.368(5) . ?
C11 C16 1.395(6) . ?
C11 C12 1.399(6) . ?
C12 C13 1.365(6) . ?
C13 C14 1.379(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.355(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.377(7) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.571(5) . ?
C18 C113 1.532(6) . ?
C18 C107 1.544(5) . ?
C18 C101 1.549(6) . ?
C21 C26 1.404(5) . ?
C21 C22 1.420(6) . ?
C22 C23 1.365(6) . ?
C23 C24 1.385(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.370(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.373(6) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.579(6) . ?
C28 C131 1.532(6) . ?
C28 C119 1.546(6) . ?
C28 C125 1.553(5) . ?
C32 C33 1.368(6) . ?
C32 C42 1.467(6) . ?
C33 C34 1.376(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.350(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.385(5) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C42 C43 1.357(6) . ?
C43 C44 1.385(6) . ?
C43 H43 0.9500 . ?
C44 C45 1.365(6) . ?
C44 H44 0.9500 . ?
C45 C46 1.382(6) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C51 C52 1.419(9) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 C53 1.481(9) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 C55 1.460(7) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C56 1.481(7) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C101 C102 1.377(6) . ?
C101 C106 1.402(6) . ?
C102 C103 1.397(6) . ?
C102 H102 0.9500 . ?
C103 C104 1.376(6) . ?
C103 H103 0.9500 . ?
C104 C105 1.376(7) . ?
C104 H104 0.9500 . ?
C105 C106 1.406(6) . ?
C105 H105 0.9500 . ?
C106 H106 0.9500 . ?
C107 C112 1.378(5) . ?
C107 C108 1.387(5) . ?
C108 C109 1.370(5) . ?
C108 H108 0.9500 . ?
C109 C110 1.379(6) . ?
C109 H109 0.9500 . ?
C110 C111 1.382(6) . ?
C110 H110 0.9500 . ?
C111 C112 1.390(5) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C113 C114 1.401(5) . ?
C113 C118 1.403(6) . ?
C114 C115 1.374(7) . ?
C114 H114 0.9500 . ?
C115 C116 1.373(6) . ?
C115 H115 0.9500 . ?
C116 C117 1.379(6) . ?
C116 H116 0.9500 . ?
C117 C118 1.359(7) . ?
C117 H117 0.9500 . ?
C118 H118 0.9500 . ?
C119 C124 1.380(5) . ?
C119 C120 1.398(6) . ?
C120 C121 1.404(6) . ?
C120 H120 0.9500 . ?
C121 C122 1.384(6) . ?
C121 H121 0.9500 . ?
C122 C123 1.372(7) . ?
C122 H122 0.9500 . ?
C123 C124 1.392(6) . ?
C123 H123 0.9500 . ?
C124 H124 0.9500 . ?
C125 C130 1.376(5) . ?
C125 C126 1.386(5) . ?
C126 C127 1.390(6) . ?
C126 H126 0.9500 . ?
C127 C128 1.374(6) . ?
C127 H127 0.9500 . ?
C128 C129 1.370(6) . ?
C128 H128 0.9500 . ?
C129 C130 1.379(5) . ?
C129 H129 0.9500 . ?
C130 H130 0.9500 . ?
C131 C132 1.383(6) . ?
C131 C136 1.402(6) . ?
C132 C133 1.367(6) . ?
C132 H132 0.9500 . ?
C133 C134 1.401(6) . ?
C133 H133 0.9500 . ?
C134 C135 1.378(6) . ?
C134 H134 0.9500 . ?
C135 C136 1.389(6) . ?
C135 H135 0.9500 . ?
C136 H136 0.9500 . ?