#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008987.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_2008987
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  1408
_journal_page_last  1410
_publ_section_title
;
cis-Bis(phenoxyacetato-O)bis(triphenylphosphine-P)platinum(II)
dichloromethane solvate
;
loop_
_publ_author_name
  'Henderson, William'
  'Oliver, Allen G.'
_chemical_formula_moiety  'C52 H44 O6 P2 Pt, (C H2 Cl2)'
_chemical_formula_sum  'C53 H46 Cl2 O6 P2 Pt'
_chemical_formula_iupac  '[Pt (C8 H7 O3)2 (C18 H15 P)2], C H2 Cl2'
_chemical_formula_weight  1106.83
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y-1/2, z-1/2'
_cell_length_a  11.47820(10)
_cell_length_b  17.9393(3)
_cell_length_c  23.3995(2)
_cell_angle_alpha  90.00
_cell_angle_beta  101.0060(10)
_cell_angle_gamma  90.00
_cell_volume  4729.59(10)
_cell_formula_units_Z  4
_cell_measurement_temperature  203(2)
_exptl_crystal_density_diffrn  1.554
_diffrn_ambient_temperature  203(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Pt 0.08078(2) 0.566301(15) 0.350776(11) 0.02756(10) Uani d . 1 . Pt
  P1 0.13202(16) 0.51719(10) 0.27060(8) 0.0293(4) Uani d . 1 . P
  P2 0.23287(15) 0.52274(9) 0.41609(7) 0.0259(4) Uani d . 1 . P
  O1 -0.0417(5) 0.6289(3) 0.2931(2) 0.0448(13) Uani d . 1 . O
  O2 -0.2121(5) 0.5858(3) 0.3105(3) 0.0582(16) Uani d . 1 . O
  O3 -0.3294(5) 0.6936(3) 0.2369(3) 0.0620(16) Uani d . 1 . O
  O11 0.0059(4) 0.6088(3) 0.4170(2) 0.0328(11) Uani d . 1 . O
  O12 0.1068(5) 0.7156(3) 0.4174(2) 0.0429(13) Uani d . 1 . O
  O13 -0.0384(5) 0.7768(3) 0.4897(2) 0.0436(13) Uani d . 1 . O
  C1 -0.1451(8) 0.6270(4) 0.2905(3) 0.0401(19) Uani d . 1 . C
  C2 -0.2060(7) 0.6964(5) 0.2535(4) 0.055(2) Uani d . 1 . C
  H2A -0.1849 0.7418 0.2765 0.066 Uiso calc R 1 . H
  H2B -0.1720 0.7007 0.2183 0.066 Uiso calc R 1 . H
  C3 -0.3752(8) 0.6483(5) 0.1910(4) 0.060(2) Uani d . 1 . C
  C4 -0.4977(9) 0.6544(6) 0.1714(5) 0.082(3) Uani d . 1 . C
  H4A -0.5426 0.6874 0.1898 0.098 Uiso calc R 1 . H
  C5 -0.5502(13) 0.6131(9) 0.1268(8) 0.123(6) Uani d . 1 . C
  H5A -0.6323 0.6182 0.1134 0.147 Uiso calc R 1 . H
  C6 -0.4855(18) 0.5609(9) 0.0984(7) 0.133(6) Uani d . 1 . C
  H6A -0.5243 0.5310 0.0676 0.159 Uiso calc R 1 . H
  C7 -0.3675(16) 0.5562(8) 0.1175(6) 0.116(5) Uani d . 1 . C
  H7A -0.3229 0.5231 0.0991 0.139 Uiso calc R 1 . H
  C8 -0.3096(11) 0.5998(6) 0.1643(4) 0.075(3) Uani d . 1 . C
  H8A -0.2271 0.5959 0.1772 0.089 Uiso calc R 1 . H
  C11 0.0340(6) 0.6753(4) 0.4350(3) 0.0332(16) Uani d . 1 . C
  C12 -0.0266(7) 0.6988(4) 0.4840(3) 0.0384(18) Uani d . 1 . C
  H12A -0.1058 0.6762 0.4777 0.046 Uiso calc R 1 . H
  H12B 0.0185 0.6790 0.5206 0.046 Uiso calc R 1 . H
  C13 -0.1305(7) 0.8107(4) 0.4518(3) 0.0404(18) Uani d . 1 . C
  C14 -0.1490(9) 0.8847(5) 0.4633(4) 0.069(3) Uani d . 1 . C
  H14A -0.1000 0.9093 0.4944 0.083 Uiso calc R 1 . H
  C15 -0.2417(10) 0.9224(5) 0.4278(5) 0.077(3) Uani d . 1 . C
  H15A -0.2552 0.9729 0.4349 0.092 Uiso calc R 1 . H
  C16 -0.3129(9) 0.8869(7) 0.3829(4) 0.067(3) Uani d . 1 . C
  H16A -0.3764 0.9123 0.3596 0.081 Uiso calc R 1 . H
  C17 -0.2915(8) 0.8151(6) 0.3721(4) 0.057(2) Uani d . 1 . C
  H17A -0.3394 0.7910 0.3404 0.069 Uiso calc R 1 . H
  C18 -0.2006(7) 0.7759(5) 0.4066(3) 0.0437(19) Uani d . 1 . C
  H18A -0.1875 0.7255 0.3987 0.052 Uiso calc R 1 . H
  C21 0.2772(6) 0.4751(4) 0.2704(3) 0.0306(16) Uani d . 1 . C
  C22 0.2997(7) 0.4015(4) 0.2886(3) 0.0373(17) Uani d . 1 . C
  H22A 0.2399 0.3731 0.3006 0.045 Uiso calc R 1 . H
  C23 0.4105(7) 0.3703(4) 0.2888(3) 0.0430(19) Uani d . 1 . C
  H23A 0.4248 0.3204 0.3001 0.052 Uiso calc R 1 . H
  C24 0.4988(7) 0.4117(5) 0.2726(4) 0.048(2) Uani d . 1 . C
  H24A 0.5738 0.3902 0.2735 0.058 Uiso calc R 1 . H
  C25 0.4788(7) 0.4842(5) 0.2553(3) 0.049(2) Uani d . 1 . C
  H25A 0.5399 0.5121 0.2439 0.059 Uiso calc R 1 . H
  C26 0.3681(7) 0.5169(5) 0.2544(3) 0.0409(18) Uani d . 1 . C
  H26A 0.3549 0.5669 0.2429 0.049 Uiso calc R 1 . H
  C31 0.0262(6) 0.4464(4) 0.2395(3) 0.0307(16) Uani d . 1 . C
  C32 0.0519(7) 0.3946(4) 0.1994(3) 0.0407(18) Uani d . 1 . C
  H32A 0.1283 0.3942 0.1904 0.049 Uiso calc R 1 . H
  C33 -0.0332(8) 0.3427(5) 0.1717(4) 0.051(2) Uani d . 1 . C
  H33A -0.0140 0.3074 0.1453 0.061 Uiso calc R 1 . H
  C34 -0.1441(8) 0.3457(5) 0.1846(4) 0.055(2) Uani d . 1 . C
  H34A -0.2024 0.3119 0.1667 0.065 Uiso calc R 1 . H
  C35 -0.1728(7) 0.3979(5) 0.2238(4) 0.048(2) Uani d . 1 . C
  H35A -0.2503 0.3995 0.2314 0.058 Uiso calc R 1 . H
  C36 -0.0876(6) 0.4476(4) 0.2519(3) 0.0354(17) Uani d . 1 . C
  H36A -0.1068 0.4819 0.2790 0.042 Uiso calc R 1 . H
  C41 0.1248(6) 0.5889(4) 0.2145(3) 0.0358(17) Uani d . 1 . C
  C42 0.0956(8) 0.5702(5) 0.1557(3) 0.053(2) Uani d . 1 . C
  H42A 0.0758 0.5208 0.1445 0.063 Uiso calc R 1 . H
  C43 0.0957(9) 0.6252(6) 0.1132(4) 0.067(3) Uani d . 1 . C
  H43A 0.0750 0.6133 0.0734 0.081 Uiso calc R 1 . H
  C44 0.1272(9) 0.6977(6) 0.1310(4) 0.064(3) Uani d . 1 . C
  H44A 0.1287 0.7347 0.1028 0.077 Uiso calc R 1 . H
  C45 0.1556(9) 0.7161(5) 0.1877(4) 0.063(3) Uani d . 1 . C
  H45A 0.1767 0.7654 0.1989 0.075 Uiso calc R 1 . H
  C46 0.1532(8) 0.6609(5) 0.2299(3) 0.053(2) Uani d . 1 . C
  H46A 0.1715 0.6738 0.2696 0.063 Uiso calc R 1 . H
  C51 0.2322(6) 0.5549(3) 0.4904(3) 0.0248(14) Uani d . 1 . C
  C52 0.3017(6) 0.6145(4) 0.5158(3) 0.0355(17) Uani d . 1 . C
  H52A 0.3527 0.6389 0.4949 0.043 Uiso calc R 1 . H
  C53 0.2961(7) 0.6377(4) 0.5715(3) 0.0423(19) Uani d . 1 . C
  H53A 0.3432 0.6778 0.5885 0.051 Uiso calc R 1 . H
  C54 0.2211(7) 0.6019(5) 0.6019(3) 0.045(2) Uani d . 1 . C
  H54A 0.2172 0.6177 0.6398 0.054 Uiso calc R 1 . H
  C55 0.1529(7) 0.5440(4) 0.5780(3) 0.0386(18) Uani d . 1 . C
  H55A 0.1025 0.5199 0.5994 0.046 Uiso calc R 1 . H
  C56 0.1571(6) 0.5202(4) 0.5217(3) 0.0316(16) Uani d . 1 . C
  H56A 0.1088 0.4805 0.5051 0.038 Uiso calc R 1 . H
  C61 0.3682(6) 0.5617(4) 0.3986(3) 0.0310(15) Uani d . 1 . C
  C62 0.3618(7) 0.6370(4) 0.3820(3) 0.0393(18) Uani d . 1 . C
  H62A 0.2919 0.6644 0.3817 0.047 Uiso calc R 1 . H
  C63 0.4583(7) 0.6701(5) 0.3662(4) 0.049(2) Uani d . 1 . C
  H63A 0.4553 0.7210 0.3563 0.059 Uiso calc R 1 . H
  C64 0.5605(7) 0.6296(5) 0.3646(4) 0.052(2) Uani d . 1 . C
  H64A 0.6249 0.6523 0.3520 0.062 Uiso calc R 1 . H
  C65 0.5674(7) 0.5562(5) 0.3816(4) 0.048(2) Uani d . 1 . C
  H65A 0.6378 0.5293 0.3816 0.057 Uiso calc R 1 . H
  C66 0.4726(6) 0.5216(4) 0.3985(3) 0.0370(17) Uani d . 1 . C
  H66A 0.4780 0.4713 0.4099 0.044 Uiso calc R 1 . H
  C71 0.2468(6) 0.4219(4) 0.4253(3) 0.0321(16) Uani d . 1 . C
  C72 0.3407(7) 0.3902(4) 0.4650(3) 0.0387(18) Uani d . 1 . C
  H72A 0.3968 0.4212 0.4882 0.046 Uiso calc R 1 . H
  C73 0.3511(8) 0.3140(5) 0.4704(4) 0.052(2) Uani d . 1 . C
  H73A 0.4156 0.2930 0.4961 0.062 Uiso calc R 1 . H
  C74 0.2677(9) 0.2689(4) 0.4382(4) 0.051(2) Uani d . 1 . C
  H74A 0.2754 0.2169 0.4416 0.062 Uiso calc R 1 . H
  C75 0.1726(8) 0.2991(4) 0.4008(3) 0.044(2) Uani d . 1 . C
  H75A 0.1150 0.2676 0.3792 0.053 Uiso calc R 1 . H
  C76 0.1611(7) 0.3758(4) 0.3949(3) 0.0385(18) Uani d . 1 . C
  H76A 0.0948 0.3963 0.3700 0.046 Uiso calc R 1 . H
  C80 0.2569(15) 0.8408(10) 0.4813(8) 0.144(6) Uiso d . 1 . C
  H80A 0.2023 0.8025 0.4619 0.173 Uiso calc R 1 . H
  H80B 0.2739 0.8304 0.5232 0.173 Uiso calc R 1 . H
  Cl1 0.1951(6) 0.9264(3) 0.4685(3) 0.198(2) Uiso d . 1 . Cl
  Cl2 0.3977(6) 0.8399(4) 0.4518(3) 0.216(3) Uiso d . 1 . Cl
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Pt 0.02893(14) 0.03261(14) 0.02072(16) 0.00409(13) 0.00371(9) -0.00073(12)
  P1 0.0311(9) 0.0353(10) 0.0210(10) 0.0015(8) 0.0040(7) -0.0011(7)
  P2 0.0270(9) 0.0290(9) 0.0216(10) 0.0017(7) 0.0042(7) -0.0017(7)
  O1 0.056(4) 0.049(3) 0.025(3) 0.016(3) -0.002(3) 0.006(2)
  O2 0.051(4) 0.073(4) 0.055(4) 0.014(3) 0.019(3) 0.015(3)
  O3 0.050(4) 0.060(4) 0.073(4) 0.010(3) 0.001(3) 0.006(3)
  O11 0.036(3) 0.034(3) 0.030(3) 0.005(2) 0.011(2) -0.004(2)
  O12 0.044(3) 0.044(3) 0.041(3) 0.004(3) 0.008(3) 0.009(2)
  O13 0.055(3) 0.037(3) 0.036(3) 0.015(2) 0.002(3) -0.008(2)
  C1 0.057(5) 0.045(5) 0.026(4) -0.020(4) 0.026(4) -0.010(3)
  C2 0.044(5) 0.056(5) 0.062(6) 0.003(4) 0.005(4) 0.010(4)
  C3 0.050(6) 0.054(6) 0.073(7) 0.001(5) 0.005(5) 0.012(5)
  C4 0.053(6) 0.076(7) 0.105(9) -0.011(6) -0.017(6) 0.016(7)
  C5 0.087(10) 0.111(12) 0.148(14) -0.028(9) -0.036(10) 0.024(11)
  C6 0.156(17) 0.119(13) 0.098(12) -0.033(12) -0.040(11) -0.013(9)
  C7 0.155(15) 0.110(11) 0.066(9) -0.032(10) -0.019(9) -0.010(8)
  C8 0.081(8) 0.083(7) 0.055(7) -0.006(6) 0.002(6) 0.013(6)
  C11 0.037(4) 0.039(4) 0.022(4) 0.015(3) 0.000(3) 0.007(3)
  C12 0.054(5) 0.042(4) 0.018(4) 0.012(4) 0.004(3) -0.001(3)
  C13 0.051(5) 0.039(4) 0.031(5) 0.010(4) 0.009(4) 0.005(3)
  C14 0.082(7) 0.049(6) 0.073(7) 0.011(5) 0.007(6) -0.011(5)
  C15 0.076(7) 0.044(6) 0.111(10) 0.025(5) 0.015(7) 0.030(6)
  C16 0.051(6) 0.096(8) 0.051(6) 0.012(6) 0.003(5) 0.024(6)
  C17 0.048(5) 0.068(6) 0.054(6) -0.001(5) 0.007(4) 0.016(5)
  C18 0.036(4) 0.054(5) 0.042(5) 0.000(4) 0.008(4) 0.015(4)
  C21 0.030(4) 0.044(4) 0.018(4) 0.004(3) 0.006(3) -0.007(3)
  C22 0.038(4) 0.046(4) 0.029(4) 0.003(3) 0.009(3) -0.002(3)
  C23 0.044(5) 0.045(5) 0.038(5) 0.007(4) 0.004(4) -0.004(4)
  C24 0.035(4) 0.066(6) 0.041(5) 0.007(4) 0.005(4) -0.010(4)
  C25 0.031(4) 0.077(6) 0.043(5) -0.007(4) 0.015(4) 0.003(4)
  C26 0.047(5) 0.051(5) 0.024(4) -0.007(4) 0.005(3) 0.001(3)
  C31 0.036(4) 0.035(4) 0.020(4) 0.004(3) 0.001(3) 0.003(3)
  C32 0.031(4) 0.056(5) 0.034(5) -0.005(4) 0.002(3) -0.014(4)
  C33 0.053(5) 0.050(5) 0.048(5) 0.003(4) 0.006(4) -0.009(4)
  C34 0.049(5) 0.063(6) 0.047(6) -0.023(4) -0.003(4) -0.005(4)
  C35 0.038(5) 0.064(5) 0.044(5) -0.010(4) 0.010(4) -0.005(4)
  C36 0.034(4) 0.040(4) 0.033(4) -0.002(3) 0.011(3) -0.004(3)
  C41 0.035(4) 0.038(4) 0.036(5) 0.002(3) 0.011(3) 0.005(3)
  C42 0.072(6) 0.061(5) 0.022(5) 0.006(5) 0.002(4) 0.004(4)
  C43 0.087(8) 0.084(7) 0.030(5) 0.007(6) 0.005(5) 0.014(5)
  C44 0.068(6) 0.076(7) 0.049(6) 0.014(5) 0.012(5) 0.031(5)
  C45 0.093(8) 0.050(5) 0.047(6) 0.001(5) 0.018(5) 0.005(4)
  C46 0.077(6) 0.060(5) 0.019(5) -0.010(5) 0.005(4) 0.010(4)
  C51 0.030(3) 0.029(4) 0.014(4) 0.006(3) -0.001(3) 0.002(3)
  C52 0.039(4) 0.032(4) 0.035(5) -0.002(3) 0.009(3) -0.003(3)
  C53 0.052(5) 0.045(4) 0.026(5) -0.002(4) -0.002(4) -0.009(3)
  C54 0.056(5) 0.050(5) 0.029(4) 0.009(4) 0.007(4) -0.006(4)
  C55 0.049(5) 0.036(4) 0.032(5) 0.006(3) 0.013(4) 0.004(3)
  C56 0.035(4) 0.031(4) 0.028(4) 0.001(3) 0.003(3) 0.001(3)
  C61 0.028(3) 0.036(4) 0.030(4) 0.000(3) 0.007(3) -0.004(3)
  C62 0.033(4) 0.046(5) 0.040(5) -0.002(3) 0.012(3) 0.004(3)
  C63 0.050(5) 0.046(5) 0.056(6) -0.010(4) 0.020(4) -0.001(4)
  C64 0.037(5) 0.070(6) 0.050(6) -0.013(4) 0.014(4) -0.008(4)
  C65 0.025(4) 0.064(6) 0.053(5) 0.003(4) 0.004(3) -0.014(4)
  C66 0.030(4) 0.048(5) 0.033(4) 0.001(3) 0.004(3) -0.006(3)
  C71 0.040(4) 0.029(4) 0.029(4) 0.001(3) 0.012(3) -0.004(3)
  C72 0.040(4) 0.043(4) 0.030(4) 0.005(4) 0.000(3) 0.002(3)
  C73 0.063(6) 0.049(5) 0.042(5) 0.017(4) 0.005(4) 0.013(4)
  C74 0.084(7) 0.036(4) 0.041(5) 0.013(5) 0.027(5) 0.006(4)
  C75 0.074(6) 0.034(4) 0.031(5) -0.011(4) 0.025(4) -0.007(3)
  C76 0.044(4) 0.040(4) 0.034(4) -0.003(3) 0.015(3) -0.002(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Pt O11 . 2.056(4) Y
  Pt O1 . 2.082(5) Y
  Pt P2 . 2.2305(17) Y
  Pt P1 . 2.2501(18) Y
  P1 C31 . 1.812(7) Y
  P1 C41 . 1.829(7) Y
  P1 C21 . 1.830(7) Y
  P2 C61 . 1.820(7) Y
  P2 C71 . 1.825(7) Y
  P2 C51 . 1.833(6) Y
  O1 C1 . 1.177(9) Y
  O2 C1 . 1.225(9) Y
  O3 C3 . 1.369(11) Y
  O3 C2 . 1.396(10) Y
  O11 C11 . 1.285(8) Y
  O12 C11 . 1.234(9) Y
  O13 C13 . 1.385(9) Y
  O13 C12 . 1.414(8) Y
  C1 C2 . 1.597(11) Y
  C3 C8 . 1.376(14) ?
  C3 C4 . 1.398(13) ?
  C4 C5 . 1.327(18) ?
  C5 C6 . 1.43(2) ?
  C6 C7 . 1.35(2) ?
  C7 C8 . 1.405(16) ?
  C11 C12 . 1.510(10) Y
  C13 C18 . 1.353(11) ?
  C13 C14 . 1.379(11) ?
  C14 C15 . 1.394(13) ?
  C15 C16 . 1.359(14) ?
  C16 C17 . 1.344(13) ?
  C17 C18 . 1.383(11) ?
  C21 C26 . 1.394(10) ?
  C21 C22 . 1.396(10) ?
  C22 C23 . 1.389(10) ?
  C23 C24 . 1.367(11) ?
  C24 C25 . 1.369(12) ?
  C25 C26 . 1.396(11) ?
  C31 C32 . 1.392(10) ?
  C31 C36 . 1.390(10) ?
  C32 C33 . 1.414(11) ?
  C33 C34 . 1.365(12) ?
  C34 C35 . 1.394(12) ?
  C35 C36 . 1.393(10) ?
  C41 C46 . 1.363(11) ?
  C41 C42 . 1.394(11) ?
  C42 C43 . 1.400(12) ?
  C43 C44 . 1.392(13) ?
  C44 C45 . 1.345(13) ?
  C45 C46 . 1.403(11) ?
  C51 C56 . 1.382(9) ?
  C51 C52 . 1.397(9) ?
  C52 C53 . 1.382(10) ?
  C53 C54 . 1.377(11) ?
  C54 C55 . 1.356(11) ?
  C55 C56 . 1.392(10) ?
  C61 C66 . 1.398(9) ?
  C61 C62 . 1.403(10) ?
  C62 C63 . 1.369(10) ?
  C63 C64 . 1.386(11) ?
  C64 C65 . 1.373(12) ?
  C65 C66 . 1.375(10) ?
  C71 C76 . 1.376(10) ?
  C71 C72 . 1.402(10) ?
  C72 C73 . 1.376(11) ?
  C73 C74 . 1.365(12) ?
  C74 C75 . 1.372(12) ?
  C75 C76 . 1.388(10) ?
  C80 Cl1 . 1.695(16) ?
  C80 Cl2 . 1.874(17) ?