#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2012717.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_2012717
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  m316
_journal_page_last  m318
_publ_section_title
;
(\h^3^-Allyl-2\k^3^C)(chloro-1\kCl)(\m-N,N'-diethyldithioxamidato-
1:2\k^4^S,S':N,N')[diphenyl(2-pyridyl)phosphine-1\kP]palladium(II)platinum(II)
chloroform solvate
;
loop_
_publ_author_name
  'Bruno, Giuseppe'
  'Lanza, Santo'
  "Nicol\'o, Francesco"
  'Tresoldi, Giuseppe'
  'Rosace, Giuseppe'
_chemical_formula_moiety  'C26 H29 Cl N3 P Pd Pt S2 , C H Cl3'
_chemical_formula_sum  'C27 H30 Cl4 N3 P Pd Pt S2'
_chemical_formula_iupac
  '[Pd Pt (C3 H5) (C6 H10 N2 S2) (C17 H14 N P) Cl] C H Cl3'
_chemical_formula_weight  934.92
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  'P 2ybc'
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  13.423(3)
_cell_length_b  13.561(3)
_cell_length_c  19.156(4)
_cell_angle_alpha  90
_cell_angle_beta  106.83(3)
_cell_angle_gamma  90
_cell_volume  3337.0(10)
_cell_formula_units_Z  4
_cell_measurement_temperature  298(2)
_exptl_crystal_density_diffrn  1.861
_diffrn_ambient_temperature  298(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 0.31771(2) 0.27755(2) 0.507707(15) 0.04267(10) Uani d . 1 . . Pt
  Pd 0.42874(6) -0.13022(5) 0.59334(4) 0.0664(2) Uani d . 1 . . Pd
  Cl1 0.32558(18) 0.42133(16) 0.57598(11) 0.0672(6) Uani d . 1 . . Cl
  S1 0.31647(18) 0.13494(15) 0.44664(10) 0.0572(6) Uani d . 1 B . S
  S2 0.42803(17) 0.20524(14) 0.61092(10) 0.0593(6) Uani d . 1 . . S
  P 0.20184(15) 0.34915(14) 0.41166(10) 0.0412(5) Uani d . 1 . . P
  N1 0.3727(5) -0.0435(4) 0.5013(3) 0.0513(16) Uani d . 1 B . N
  N2 0.4487(6) 0.0114(5) 0.6368(4) 0.091(3) Uani d . 1 B . N
  C1 0.3712(6) 0.0487(5) 0.5126(4) 0.0438(18) Uani d . 1 . . C
  C2 0.4185(6) 0.0819(6) 0.5901(4) 0.062(2) Uani d . 1 B . C
  C3 0.3263(9) -0.0840(6) 0.4284(5) 0.087(3) Uani d . 1 . . C
  H3A 0.3661 -0.1408 0.4212 0.104 Uiso calc R 1 B . H
  H3B 0.3285 -0.0348 0.3921 0.104 Uiso calc R 1 . . H
  C4 0.2134(9) -0.1146(8) 0.4187(6) 0.116(4) Uani d U 1 B . C
  H4A 0.1842 -0.1410 0.3706 0.174 Uiso calc R 1 . . H
  H4B 0.1739 -0.0581 0.4252 0.174 Uiso calc R 1 . . H
  H4C 0.2114 -0.1638 0.4543 0.174 Uiso calc R 1 . . H
  C5 0.4750(10) 0.0290(9) 0.7255(7) 0.123(5) Uani d U 1 . . C
  H5A 0.4451 0.0895 0.7374 0.148 Uiso calc R 1 B . H
  H5B 0.4545 -0.0265 0.7502 0.148 Uiso calc R 1 . . H
  C6 0.5862(14) 0.0354(9) 0.7387(7) 0.166(7) Uani d . 1 B . C
  H6A 0.6189 0.0471 0.7896 0.249 Uiso calc R 1 . . H
  H6B 0.6021 0.0886 0.7107 0.249 Uiso calc R 1 . . H
  H6C 0.6117 -0.0254 0.7246 0.249 Uiso calc R 1 . . H
  C7 0.4105(10) -0.2773(7) 0.5586(7) 0.094(3) Uani d . 1 B . C
  H7A 0.3461 -0.3096 0.5588 0.113 Uiso calc R 1 A 1 H
  H7B 0.4344 -0.2942 0.5169 0.113 Uiso calc R 1 A 1 H
  C8A 0.488(3) -0.2676(19) 0.627(2) 0.102(10) Uani d P 0.50 B 1 C
  H8A 0.5600 -0.2801 0.6274 0.123 Uiso calc PR 0.50 B 1 H
  C8B 0.411(3) -0.2761(19) 0.6245(17) 0.093(8) Uani d P 0.50 B 2 C
  H8B 0.3421 -0.2888 0.6308 0.111 Uiso calc PR 0.50 B 2 H
  C9 0.4745(14) -0.2261(8) 0.6811(7) 0.137(6) Uani d . 1 B . C
  H9A 0.5368 -0.2083 0.7194 0.164 Uiso calc R 1 C 1 H
  H9B 0.4196 -0.2524 0.6994 0.164 Uiso calc R 1 C 1 H
  C10 0.1780(6) 0.2810(5) 0.3266(4) 0.0470(18) Uani d . 1 . . C
  C11 0.1068(7) 0.2018(6) 0.3116(4) 0.063(2) Uani d . 1 . . C
  H11 0.0652 0.1895 0.3420 0.076 Uiso calc R 1 . . H
  C12 0.0994(8) 0.1431(7) 0.2522(5) 0.088(3) Uani d . 1 . . C
  H12 0.0527 0.0908 0.2423 0.105 Uiso calc R 1 . . H
  C13 0.1605(9) 0.1611(7) 0.2069(5) 0.084(3) Uani d . 1 . . C
  H13 0.1563 0.1209 0.1669 0.101 Uiso calc R 1 . . H
  C14 0.2271(8) 0.2389(7) 0.2219(5) 0.083(3) Uani d . 1 . . C
  H14 0.2674 0.2528 0.1909 0.100 Uiso calc R 1 . . H
  C15 0.2361(6) 0.2967(6) 0.2814(4) 0.058(2) Uani d . 1 . . C
  H15 0.2837 0.3484 0.2910 0.070 Uiso calc R 1 . . H
  C16 0.2430(6) 0.4702(5) 0.3891(4) 0.0440(18) Uani d . 1 . . C
  C17 0.3480(7) 0.4905(6) 0.4034(5) 0.064(2) Uani d . 1 . . C
  H17 0.3972 0.4442 0.4274 0.077 Uiso calc R 1 . . H
  C18 0.3798(8) 0.5804(7) 0.3820(5) 0.080(3) Uani d . 1 . . C
  H18 0.4502 0.5949 0.3912 0.096 Uiso calc R 1 . . H
  C19 0.3069(10) 0.6457(7) 0.3476(5) 0.085(3) Uani d . 1 . . C
  H19 0.3267 0.7062 0.3330 0.102 Uiso calc R 1 . . H
  C20 0.2051(9) 0.6240(7) 0.3342(6) 0.093(3) Uani d . 1 . . C
  H20 0.1562 0.6705 0.3100 0.111 Uiso calc R 1 . . H
  N3 0.1702(6) 0.5361(6) 0.3547(4) 0.086(2) Uani d . 1 . . N
  C21 0.0750(6) 0.3634(5) 0.4253(5) 0.055(2) Uani d . 1 . . C
  C22 -0.0092(7) 0.3918(6) 0.3682(6) 0.078(3) Uani d . 1 . . C
  H22 -0.0013 0.4018 0.3221 0.094 Uiso calc R 1 . . H
  C23 -0.1061(8) 0.4053(8) 0.3799(8) 0.100(4) Uani d . 1 . . C
  H23 -0.1635 0.4234 0.3415 0.121 Uiso calc R 1 . . H
  C24 -0.1159(9) 0.3915(8) 0.4487(8) 0.099(4) Uani d . 1 . . C
  H24 -0.1797 0.4031 0.4572 0.119 Uiso calc R 1 . . H
  C25 -0.0344(10) 0.3613(8) 0.5040(7) 0.102(4) Uani d . 1 . . C
  H25 -0.0428 0.3496 0.5498 0.123 Uiso calc R 1 . . H
  C26 0.0605(7) 0.3480(7) 0.4927(5) 0.067(2) Uani d . 1 . . C
  H26 0.1165 0.3280 0.5313 0.081 Uiso calc R 1 . . H
  C27 -0.1648(14) 0.0094(14) 0.3448(10) 0.191(7) Uani d U 1 . . C
  H27 -0.2284 0.0038 0.3040 0.229 Uiso calc R 1 . . H
  Cl2 -0.0424(5) -0.0341(4) 0.3355(3) 0.231(2) Uani d U 1 . . Cl
  Cl3 -0.1473(5) -0.0720(4) 0.4356(3) 0.253(3) Uani d U 1 . . Cl
  Cl4 -0.1332(6) 0.1202(5) 0.3909(5) 0.318(4) Uani d U 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 0.04411(17) 0.03947(16) 0.04363(15) 0.00331(17) 0.01144(12) 0.00032(16)
  Pd 0.0730(5) 0.0442(4) 0.0755(5) 0.0028(4) 0.0112(4) 0.0154(3)
  Cl1 0.0750(16) 0.0555(13) 0.0631(13) 0.0071(12) 0.0076(12) -0.0171(11)
  S1 0.0844(17) 0.0434(11) 0.0417(11) 0.0111(12) 0.0152(11) 0.0007(9)
  S2 0.0701(15) 0.0436(13) 0.0515(11) 0.0008(11) -0.0026(10) 0.0010(9)
  P 0.0396(11) 0.0381(11) 0.0455(11) 0.0010(9) 0.0116(9) -0.0008(9)
  N1 0.062(4) 0.039(4) 0.052(4) 0.006(3) 0.014(3) -0.001(3)
  N2 0.116(7) 0.047(5) 0.076(5) -0.007(5) -0.024(5) 0.011(4)
  C1 0.039(4) 0.042(5) 0.049(4) 0.003(4) 0.012(4) 0.007(4)
  C2 0.059(6) 0.052(5) 0.062(5) -0.005(5) -0.004(4) 0.015(4)
  C3 0.151(11) 0.046(5) 0.076(7) 0.030(6) 0.050(7) -0.005(5)
  C4 0.104(7) 0.106(7) 0.114(7) 0.011(6) -0.006(6) -0.032(6)
  C5 0.120(8) 0.089(7) 0.130(8) 0.016(7) -0.013(7) -0.023(6)
  C6 0.28(2) 0.097(10) 0.143(12) 0.008(13) 0.098(14) 0.027(9)
  C7 0.122(11) 0.044(6) 0.124(9) -0.014(7) 0.050(9) -0.008(7)
  C8A 0.12(2) 0.035(14) 0.15(3) 0.034(17) 0.03(3) -0.003(15)
  C8B 0.12(2) 0.049(13) 0.10(2) -0.022(18) 0.015(19) 0.022(16)
  C9 0.205(16) 0.053(7) 0.117(10) -0.018(10) -0.010(12) 0.051(7)
  C10 0.055(5) 0.037(4) 0.044(4) 0.004(4) 0.007(4) -0.003(4)
  C11 0.072(6) 0.063(6) 0.054(5) -0.009(5) 0.018(4) -0.012(4)
  C12 0.110(9) 0.077(7) 0.063(6) -0.030(6) 0.004(6) -0.022(6)
  C13 0.129(10) 0.064(7) 0.054(6) 0.003(7) 0.020(6) -0.018(5)
  C14 0.105(8) 0.082(8) 0.073(6) 0.005(6) 0.045(6) -0.001(6)
  C15 0.072(6) 0.051(6) 0.055(5) -0.007(4) 0.025(5) -0.010(4)
  C16 0.045(5) 0.042(4) 0.044(4) -0.004(4) 0.011(4) -0.001(3)
  C17 0.052(6) 0.046(5) 0.096(7) -0.007(4) 0.025(5) 0.003(5)
  C18 0.085(8) 0.070(7) 0.090(7) -0.024(6) 0.034(6) -0.011(6)
  C19 0.118(10) 0.048(6) 0.096(8) -0.019(7) 0.040(7) 0.000(5)
  C20 0.086(8) 0.046(6) 0.147(10) 0.006(6) 0.035(8) 0.025(6)
  N3 0.082(6) 0.064(5) 0.101(6) 0.003(5) 0.009(5) 0.010(5)
  C21 0.041(5) 0.040(4) 0.081(6) -0.003(4) 0.015(5) 0.005(4)
  C22 0.050(6) 0.060(6) 0.119(8) 0.012(5) 0.017(6) 0.035(6)
  C23 0.056(7) 0.074(7) 0.165(12) 0.010(6) 0.022(8) 0.032(8)
  C24 0.062(8) 0.062(7) 0.190(14) -0.004(6) 0.064(9) -0.022(8)
  C25 0.092(9) 0.100(9) 0.134(10) -0.005(8) 0.063(8) -0.032(8)
  C26 0.055(6) 0.079(7) 0.074(6) -0.010(5) 0.028(5) -0.010(5)
  C27 0.182(10) 0.184(10) 0.220(11) -0.030(9) 0.079(9) -0.020(9)
  Cl2 0.226(5) 0.263(6) 0.218(5) -0.022(4) 0.085(4) 0.009(4)
  Cl3 0.310(6) 0.215(5) 0.297(6) -0.037(5) 0.191(5) 0.004(5)
  Cl4 0.333(7) 0.250(6) 0.437(8) 0.000(5) 0.215(6) -0.007(6)
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 . 2.256(2) yes
  Pt S1 . 2.258(2) yes
  Pt S2 . 2.317(2) yes
  Pt Cl1 . 2.333(2) yes
  Pd N1 . 2.071(6) yes
  Pd N2 . 2.079(7) yes
  Pd C7 . 2.094(10) yes
  Pd C8A . 2.05(2) ?
  Pd C8B . 2.10(2) ?
  Pd C9 . 2.073(10) yes
  S1 C1 . 1.722(7) yes
  S2 C2 . 1.716(9) yes
  P C21 . 1.805(8) ?
  P C10 . 1.819(7) ?
  P C16 . 1.824(7) ?
  N1 C1 . 1.270(8) yes
  N1 C3 . 1.461(10) yes
  N2 C2 . 1.291(9) yes
  N2 C5 . 1.650(13) yes
  C1 C2 . 1.505(10) yes
  C3 C4 . 1.529(13) ?
  C3 H3A . 0.9700 ?
  C3 H3B . 0.9700 ?
  C4 H4A . 0.9600 ?
  C4 H4B . 0.9600 ?
  C4 H4C . 0.9600 ?
  C5 C6 . 1.443(17) ?
  C5 H5A . 0.9700 ?
  C5 H5B . 0.9700 ?
  C6 H6A . 0.9600 ?
  C6 H6B . 0.9600 ?
  C6 H6C . 0.9600 ?
  C7 C8B . 1.26(3) ?
  C7 C8A . 1.42(4) ?
  C7 H7A . 0.9700 ?
  C7 H7B . 0.9700 ?
  C8A C9 . 1.24(3) ?
  C8A H8A . 0.9800 ?
  C8B C9 . 1.35(3) ?
  C8B H8B . 0.9800 ?
  C9 H9A . 0.9700 ?
  C9 H9B . 0.9700 ?
  C10 C15 . 1.340(10) ?
  C10 C11 . 1.410(10) ?
  C11 C12 . 1.369(11) ?
  C11 H11 . 0.9300 ?
  C12 C13 . 1.378(12) ?
  C12 H12 . 0.9300 ?
  C13 C14 . 1.358(12) ?
  C13 H13 . 0.9300 ?
  C14 C15 . 1.360(11) ?
  C14 H14 . 0.9300 ?
  C15 H15 . 0.9300 ?
  C16 N3 . 1.347(9) ?
  C16 C17 . 1.383(10) ?
  C17 C18 . 1.393(11) ?
  C17 H17 . 0.9300 ?
  C18 C19 . 1.343(12) ?
  C18 H18 . 0.9300 ?
  C19 C20 . 1.347(13) ?
  C19 H19 . 0.9300 ?
  C20 N3 . 1.380(11) ?
  C20 H20 . 0.9300 ?
  C21 C26 . 1.377(10) ?
  C21 C22 . 1.380(11) ?
  C22 C23 . 1.394(13) ?
  C22 H22 . 0.9300 ?
  C23 C24 . 1.376(14) ?
  C23 H23 . 0.9300 ?
  C24 C25 . 1.346(15) ?
  C24 H24 . 0.9300 ?
  C25 C26 . 1.365(12) ?
  C25 H25 . 0.9300 ?
  C26 H26 . 0.9300 ?
  C27 Cl4 . 1.731(17) ?
  C27 Cl2 . 1.803(17) ?
  C27 Cl3 . 2.015(17) ?
  C27 H27 . 0.9800 ?