data_2012088
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  793
_journal_page_last  795
_publ_section_title
;
trans-Chloro(methyl)bis(tricyclohexylphosphine)platinum(II)
;
loop_
_publ_author_name
  'Otto, Stefanus'
_chemical_formula_moiety  'C37 H69 Cl P2 Pt'
_chemical_formula_sum  'C37 H69 Cl P2 Pt'
_chemical_formula_iupac  '[PtCl(C18 H33 P)2 (CH3 ) ]'
_chemical_formula_weight  806.40
_symmetry_cell_setting  'Triclinic'
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  10.654(2)
_cell_length_b  10.0701(8)
_cell_length_c  10.2620(9)
_cell_angle_alpha  91.4460(8)
_cell_angle_beta  109.639(2)
_cell_angle_gamma  112.649(2)
_cell_volume  941.7(2)
_cell_formula_units_Z  1
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.422
_diffrn_ambient_temperature  293(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_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Pt  .5000  .5000  .5000  .03725(7) Uani d S 1 . . Pt
  P  .29465(8)  .46867(9)  .30097(9)  .03691(16) Uani d . 1 . . P
  C11  .1217(3)  .3894(4)  .3329(4)  .0425(7) Uani d . 1 . . C
  H11  .1321  .4630  .4048  .078(3) Uiso calc R 1 . . H
  C12  .1009(4)  .2545(5)  .3983(5)  .0583(9) Uani d . 1 . . C
  H12A  .1893  .2719  .4785  .078(3) Uiso calc R 1 . . H
  H12B  .0832  .1741  .3306  .078(3) Uiso calc R 1 . . H
  C13  -.0294(5)  .2139(6)  .4459(6)  .0715(12) Uani d . 1 . . C
  H13A  -.0467  .1221  .4802  .078(3) Uiso calc R 1 . . H
  H13B  -.0056  .2886  .5227  .078(3) Uiso calc R 1 . . H
  C14  -.1677(5)  .1993(5)  .3266(5)  .0702(12) Uani d . 1 . . C
  H14A  -.1999  .1147  .2563  .078(3) Uiso calc R 1 . . H
  H14B  -.2447  .1833  .3626  .078(3) Uiso calc R 1 . . H
  C15  -.1446(4)  .3305(5)  .2597(5)  .0664(11) Uani d . 1 . . C
  H15A  -.1244  .4127  .3269  .078(3) Uiso calc R 1 . . H
  H15B  -.2339  .3136  .1807  .078(3) Uiso calc R 1 . . H
  C16  -.0184(4)  .3690(5)  .2082(5)  .0566(9) Uani d . 1 . . C
  H16A  -.0035  .4584  .1698  .078(3) Uiso calc R 1 . . H
  H16B  -.0414  .2913  .1346  .078(3) Uiso calc R 1 . . H
  C21  .2722(4)  .3676(4)  .1341(4)  .0448(7) Uani d . 1 . . C
  H21  .3716  .4044  .1336  .078(3) Uiso calc R 1 . . H
  C22  .1785(5)  .3868(5)  -.0097(4)  .0591(10) Uani d . 1 . . C
  H22A  .0763  .3438  -.0203  .078(3) Uiso calc R 1 . . H
  H22B  .2072  .4904  -.0115  .078(3) Uiso calc R 1 . . H
  C23  .1938(6)  .3166(6)  -.1344(5)  .0742(13) Uani d . 1 . . C
  H23A  .1305  .3297  -.2215  .078(3) Uiso calc R 1 . . H
  H23B  .2942  .3646  -.1290  .078(3) Uiso calc R 1 . . H
  C24  .1538(7)  .1585(6)  -.1341(5)  .0854(16) Uani d . 1 . . C
  H24A  .1735  .1178  -.2078  .078(3) Uiso calc R 1 . . H
  H24B  .0498  .1081  -.1529  .078(3) Uiso calc R 1 . . H
  C25  .2424(7)  .1353(6)  .0088(5)  .0821(15) Uani d . 1 . . C
  H25A  .3449  .1746  .0206  .078(3) Uiso calc R 1 . . H
  H25B  .2096  .0311  .0091  .078(3) Uiso calc R 1 . . H
  C26  .2288(6)  .2070(5)  .1343(5)  .0623(10) Uani d . 1 . . C
  H26A  .1284  .1608  .1291  .078(3) Uiso calc R 1 . . H
  H26B  .2916  .1929  .2212  .078(3) Uiso calc R 1 . . H
  C31  .3031(4)  .6417(4)  .2491(4)  .0449(7) Uani d . 1 . . C
  H31  .2190  .6200  .1612  .078(3) Uiso calc R 1 . . H
  C32  .2926(5)  .7411(5)  .3564(5)  .0611(10) Uani d . 1 . . C
  H32A  .2017  .6913  .3710  .078(3) Uiso calc R 1 . . H
  H32B  .3734  .7631  .4456  .078(3) Uiso calc R 1 . . H
  C33  .2978(5)  .8797(5)  .3051(6)  .0678(11) Uani d . 1 . . C
  H33A  .2940  .9431  .3751  .078(3) Uiso calc R 1 . . H
  H33B  .2130  .8579  .2195  .078(3) Uiso calc R 1 . . H
  C34  .4368(5)  .9581(5)  .2765(6)  .0702(12) Uani d . 1 . . C
  H34A  .4366 1.0470  .2423  .078(3) Uiso calc R 1 . . H
  H34B  .5212  .9855  .3636  .078(3) Uiso calc R 1 . . H
  C35  .4502(5)  .8640(5)  .1696(5)  .0683(11) Uani d . 1 . . C
  H35A  .3713  .8439  .0794  .078(3) Uiso calc R 1 . . H
  H35B  .5427  .9150  .1580  .078(3) Uiso calc R 1 . . H
  C36  .4429(4)  .7230(4)  .2191(5)  .0579(9) Uani d . 1 . . C
  H36A  .5281  .7435  .3040  .078(3) Uiso calc R 1 . . H
  H36B  .4461  .6605  .1479  .078(3) Uiso calc R 1 . . H
  Cl  .6092(5)  .4387(6)  .3465(5)  .0542(9) Uani d P  .50 . . Cl
  C1  .4125(15)  .5825(19)  .6310(15)  .029(2) Uani d P  .50 . . C
  H1A  .3809  .5119  .6874  .078(3) Uiso calc PR  .50 . . H
  H1B  .3307  .5996  .5721  .078(3) Uiso calc PR  .50 . . H
  H1C  .4874  .6724  .6911  .078(3) Uiso calc PR  .50 . . H
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  .02978(8)  .04939(11)  .03410(10)  .01929(7)  .01064(6)  .00652(7)
  P  .0299(3)  .0423(4)  .0374(4)  .0169(3)  .0093(3)  .0060(3)
  C11  .0326(14)  .0491(17)  .0419(17)  .0162(13)  .0108(13)  .0032(14)
  C12  .0479(19)  .060(2)  .065(3)  .0186(17)  .0229(19)  .019(2)
  C13  .065(3)  .071(3)  .078(3)  .016(2)  .040(2)  .019(2)
  C14  .047(2)  .072(3)  .076(3)  .0044(19)  .031(2)  -.008(2)
  C15  .0365(18)  .079(3)  .076(3)  .0200(19)  .0177(19)  .004(2)
  C16  .0363(16)  .068(2)  .062(2)  .0227(17)  .0133(16)  .013(2)
  C21  .0406(16)  .0459(17)  .0457(19)  .0214(14)  .0099(14)  .0061(15)
  C22  .068(2)  .063(2)  .043(2)  .036(2)  .0080(18)  .0081(18)
  C23  .096(4)  .082(3)  .042(2)  .041(3)  .019(2)  .010(2)
  C24  .121(5)  .080(3)  .056(3)  .049(3)  .027(3)  -.006(2)
  C25  .123(5)  .075(3)  .067(3)  .063(3)  .033(3)  .009(2)
  C26  .085(3)  .055(2)  .055(2)  .040(2)  .024(2)  .0103(19)
  C31  .0375(15)  .0473(17)  .0449(19)  .0172(14)  .0106(14)  .0041(15)
  C32  .067(2)  .057(2)  .069(3)  .031(2)  .031(2)  .011(2)
  C33  .070(3)  .054(2)  .080(3)  .033(2)  .022(2)  .005(2)
  C34  .068(3)  .044(2)  .081(3)  .0195(19)  .012(2)  .005(2)
  C35  .069(3)  .050(2)  .075(3)  .013(2)  .027(2)  .015(2)
  C36  .054(2)  .0478(19)  .074(3)  .0191(17)  .028(2)  .0112(19)
  Cl  .0359(15)  .094(2)  .0425(17)  .0318(16)  .0195(10)  .0191(14)
  C1  .017(4)  .056(5)  .020(4)  .014(3)  .014(3)  .014(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 P . 2.3431(8) Yes
  Pt C1 . 2.179(13) Yes
  Pt Cl . 2.440(4) Yes
  P C11 . 1.851(3) Yes
  P C21 . 1.864(4) Yes
  P C31 . 1.812(3) Yes
  C11 C12 . 1.502(5) ?
  C11 C16 . 1.541(5) ?
  C11 H11 .  .9800 ?
  C12 C13 . 1.536(6) ?
  C12 H12A .  .9700 ?
  C12 H12B .  .9700 ?
  C13 C14 . 1.518(7) ?
  C13 H13A .  .9700 ?
  C13 H13B .  .9700 ?
  C14 C15 . 1.479(7) ?
  C14 H14A .  .9700 ?
  C14 H14B .  .9700 ?
  C15 C16 . 1.524(5) ?
  C15 H15A .  .9700 ?
  C15 H15B .  .9700 ?
  C16 H16A .  .9700 ?
  C16 H16B .  .9700 ?
  C21 C26 . 1.501(5) ?
  C21 C22 . 1.545(5) ?
  C21 H21 .  .9800 ?
  C22 C23 . 1.532(6) ?
  C22 H22A .  .9700 ?
  C22 H22B .  .9700 ?
  C23 C24 . 1.482(7) ?
  C23 H23A .  .9700 ?
  C23 H23B .  .9700 ?
  C24 C25 . 1.534(7) ?
  C24 H24A .  .9700 ?
  C24 H24B .  .9700 ?
  C25 C26 . 1.536(6) ?
  C25 H25A .  .9700 ?
  C25 H25B .  .9700 ?
  C26 H26A .  .9700 ?
  C26 H26B .  .9700 ?
  C31 C32 . 1.529(5) ?
  C31 C36 . 1.539(5) ?
  C31 H31 .  .9800 ?
  C32 C33 . 1.492(6) ?
  C32 H32A .  .9700 ?
  C32 H32B .  .9700 ?
  C33 C34 . 1.518(7) ?
  C33 H33A .  .9700 ?
  C33 H33B .  .9700 ?
  C34 C35 . 1.510(7) ?
  C34 H34A .  .9700 ?
  C34 H34B .  .9700 ?
  C35 C36 . 1.502(6) ?
  C35 H35A .  .9700 ?
  C35 H35B .  .9700 ?
  C36 H36A .  .9700 ?
  C36 H36B .  .9700 ?
  Cl C1 2_666  .391(11) ?
  C1 H1A .  .9600 ?
  C1 H1B .  .9600 ?
  C1 H1C .  .9600 ?