#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008832.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_2008832
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_publ_section_title
;
Diiodo[methylenebis(diphenylphosphine)-P,P]platinum(II), [PtI~2~(dppm)]
;
loop_
_publ_author_name
  'Arendse, Malcolm J.'
  'Anderson, Gordon K.'
  'Rath, Nigam P.'
_chemical_formula_sum  'C25 H22 I2 P2 Pt'
_chemical_formula_iupac  '[Pt I2 (C25 H22 P2)]'
_chemical_formula_weight  833.26
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
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  9.02360(10)
_cell_length_b  14.37300(10)
_cell_length_c  19.78870(10)
_cell_angle_alpha  90.00
_cell_angle_beta  92.8990(10)
_cell_angle_gamma  90.00
_cell_volume  2563.23(4)
_cell_formula_units_Z  4
_cell_measurement_temperature  223(2)
_exptl_crystal_density_diffrn  2.159
_diffrn_ambient_temperature  223(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 0.83649(2) 0.784000(10)
  0.676761(8) 0.02282(5) Uani d . 1 . . Pt
  I1 1.08359(4) 0.78481(2) 0.609220(10)
  0.03492(8) Uani d . 1 . . I
  I2 0.97126(4) 0.83497(2) 0.793540(10)
  0.03643(9) Uani d . 1 . . I
  P1 0.68439(14) 0.74145(8) 0.58960(6) 0.0260(2) Uani d . 1 . . P
  P2 0.61000(13) 0.78098(7) 0.71640(5) 0.0230(2) Uani d . 1 . . P
  C1 0.7145(5) 0.6325(3) 0.5460(2) 0.0317(10) Uani d . 1 . . C
  C2 0.6924(8) 0.5489(4) 0.5774(3) 0.0558(17) Uani d . 1 . . C
  H2 0.6583 0.5478 0.6215 0.067 Uiso calc R 1 . . H
  C3 0.7205(9) 0.4652(4) 0.5442(4) 0.075(2) Uani d . 1 . . C
  H3 0.7015 0.4080 0.5651 0.090 Uiso calc R 1 . . H
  C4 0.7755(9) 0.4671(5) 0.4813(4) 0.072(2) Uani d . 1 . . C
  H4 0.7957 0.4111 0.4589 0.087 Uiso calc R 1 . . H
  C5 0.8011(9) 0.5500(5) 0.4509(3) 0.080(2) Uani d . 1 . . C
  H5 0.8406 0.5509 0.4079 0.096 Uiso calc R 1 . . H
  C6 0.7698(8) 0.6332(4) 0.4826(3) 0.0613(18) Uani d . 1 . . C
  H6 0.7864 0.6901 0.4608 0.074 Uiso calc R 1 . . H
  C7 0.6440(6) 0.8277(3) 0.5248(2) 0.0313(10) Uani d . 1 . . C
  C8 0.5296(7) 0.8116(4) 0.4764(3) 0.0526(16) Uani d . 1 . . C
  H8 0.4721 0.7572 0.4780 0.063 Uiso calc R 1 . . H
  C9 0.5017(8) 0.8768(4) 0.4258(3) 0.0595(18) Uani d . 1 . . C
  H9 0.4250 0.8663 0.3927 0.071 Uiso calc R 1 . . H
  C10 0.5851(7) 0.9567(4) 0.4235(3) 0.0481(14) Uani d . 1 . . C
  H10 0.5666 0.9997 0.3883 0.058 Uiso calc R 1 . . H
  C11 0.6957(6) 0.9739(4) 0.4725(3) 0.0455(13) Uani d . 1 . . C
  H11 0.7508 1.0294 0.4717 0.055 Uiso calc R 1 . . H
  C12 0.7250(6) 0.9081(3) 0.5234(2) 0.0375(11) Uani d . 1 . . C
  H12 0.8007 0.9191 0.5569 0.045 Uiso calc R 1 . . H
  C13 0.5729(5) 0.7103(3) 0.7885(2) 0.0267(9) Uani d . 1 . . C
  C14 0.5795(7) 0.7521(4) 0.8519(2) 0.0454(14) Uani d . 1 . . C
  H14 0.5965 0.8165 0.8557 0.054 Uiso calc R 1 . . H
  C15 0.5610(8) 0.6994(4) 0.9097(3) 0.0559(16) Uani d . 1 . . C
  H15 0.5681 0.7280 0.9525 0.067 Uiso calc R 1 . . H
  C16 0.5326(6) 0.6062(4) 0.9046(3) 0.0503(15) Uani d . 1 . . C
  H16 0.5173 0.5711 0.9437 0.060 Uiso calc R 1 . . H
  C17 0.5263(7) 0.5638(4) 0.8423(3) 0.0530(15) Uani d . 1 . . C
  H17 0.5077 0.4996 0.8390 0.064 Uiso calc R 1 . . H
  C18 0.5473(6) 0.6154(3) 0.7843(3) 0.0401(12) Uani d . 1 . . C
  H18 0.5442 0.5857 0.7419 0.048 Uiso calc R 1 . . H
  C19 0.5283(5) 0.8924(3) 0.7326(2) 0.0249(9) Uani d . 1 . . C
  C20 0.6153(6) 0.9718(3) 0.7350(2) 0.0353(11) Uani d . 1 . . C
  H20 0.7170 0.9677 0.7273 0.042 Uiso calc R 1 . . H
  C21 0.5526(6) 1.0575(3) 0.7489(3) 0.0435(13) Uani d . 1 . . C
  H21 0.6121 1.1113 0.7505 0.052 Uiso calc R 1 . . H
  C22 0.4051(6) 1.0641(3) 0.7602(3) 0.0422(13) Uani d . 1 . . C
  H22 0.3633 1.1222 0.7698 0.051 Uiso calc R 1 . . H
  C23 0.3172(6) 0.9855(4) 0.7577(3) 0.0453(13) Uani d . 1 . . C
  H23 0.2153 0.9903 0.7649 0.054 Uiso calc R 1 . . H
  C24 0.3787(5) 0.8992(3) 0.7444(2) 0.0356(11) Uani d . 1 . . C
  H24 0.3189 0.8456 0.7435 0.043 Uiso calc R 1 . . H
  C25 0.5183(5) 0.7303(3) 0.6399(2) 0.0285(10) Uani d . 1 . . C
  H25A 0.4343 0.7676 0.6219 0.034 Uiso calc R 1 . . H
  H25B 0.4879 0.6655 0.6461 0.034 Uiso calc R 1 . . 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 0.02643(9) 0.02341(8) 0.01882(8) -0.00011(7) 0.00316(6) 0.00058(6)
  I1 0.03179(17) 0.04558(18) 0.02811(15) 0.00215(15) 0.00857(13) -0.00129(13)
  I2 0.03896(19) 0.04351(18) 0.02662(16) -0.00396(15) -0.00026(13)
  -0.00198(13)
  P1 0.0333(7) 0.0256(6) 0.0193(5) -0.0004(5) 0.0015(5) -0.0011(4)
  P2 0.0258(6) 0.0213(5) 0.0221(5) -0.0011(5) 0.0031(4) -0.0002(4)
  C1 0.035(3) 0.033(2) 0.027(2) 0.003(2) 0.001(2) -0.0082(19)
  C2 0.095(5) 0.034(3) 0.039(3) 0.007(3) 0.015(3) 0.000(2)
  C3 0.129(7) 0.035(3) 0.061(4) 0.016(4) 0.003(4) -0.004(3)
  C4 0.102(6) 0.049(4) 0.065(4) 0.019(4) 0.004(4) -0.023(3)
  C5 0.124(7) 0.068(5) 0.053(4) 0.007(4) 0.039(4) -0.024(3)
  C6 0.098(5) 0.042(3) 0.046(3) 0.000(3) 0.025(4) -0.005(3)
  C7 0.043(3) 0.029(2) 0.022(2) 0.006(2) 0.006(2) 0.0010(18)
  C8 0.076(4) 0.040(3) 0.039(3) -0.012(3) -0.023(3) 0.002(2)
  C9 0.086(5) 0.055(4) 0.034(3) 0.005(3) -0.024(3) 0.004(3)
  C10 0.065(4) 0.050(3) 0.030(3) 0.012(3) 0.003(3) 0.015(2)
  C11 0.049(3) 0.038(3) 0.050(3) 0.003(3) 0.008(3) 0.018(2)
  C12 0.040(3) 0.037(3) 0.035(3) 0.001(2) -0.001(2) 0.005(2)
  C13 0.027(2) 0.028(2) 0.025(2) -0.0009(19) 0.0063(18) 0.0028(17)
  C14 0.074(4) 0.036(3) 0.026(3) -0.001(3) 0.008(3) 0.003(2)
  C15 0.077(5) 0.068(4) 0.024(3) 0.004(3) 0.008(3) 0.006(2)
  C16 0.049(4) 0.061(4) 0.042(3) 0.004(3) 0.015(3) 0.025(3)
  C17 0.065(4) 0.036(3) 0.059(4) -0.005(3) 0.017(3) 0.019(3)
  C18 0.051(3) 0.032(3) 0.038(3) -0.001(2) 0.008(2) 0.003(2)
  C19 0.029(2) 0.024(2) 0.022(2) 0.0013(18) -0.0002(18) -0.0012(16)
  C20 0.034(3) 0.030(2) 0.042(3) -0.004(2) -0.001(2) 0.002(2)
  C21 0.047(3) 0.028(2) 0.054(3) -0.003(2) -0.006(3) -0.005(2)
  C22 0.052(4) 0.026(2) 0.048(3) 0.009(2) 0.000(3) -0.007(2)
  C23 0.040(3) 0.045(3) 0.051(3) 0.013(3) 0.011(3) -0.005(2)
  C24 0.030(3) 0.031(2) 0.046(3) -0.003(2) 0.009(2) -0.002(2)
  C25 0.027(2) 0.030(2) 0.028(2) -0.0037(19) 0.0026(19) -0.0050(18)
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 P2 . 2.2262(12) yes
  Pt P1 . 2.2347(11) yes
  Pt I1 . 2.6570(3) yes
  Pt I2 . 2.6591(3) yes
  P1 C7 . 1.807(5) ?
  P1 C1 . 1.815(4) ?
  P1 C25 . 1.848(5) yes
  P1 P2 . 2.6907(16) ?
  P2 C13 . 1.797(4) ?
  P2 C19 . 1.799(4) ?
  P2 C25 . 1.838(4) yes
  C1 C2 . 1.371(7) ?
  C1 C6 . 1.373(7) ?
  C2 C3 . 1.401(8) ?
  C3 C4 . 1.363(10) ?
  C4 C5 . 1.360(10) ?
  C5 C6 . 1.387(8) ?
  C7 C12 . 1.369(7) ?
  C7 C8 . 1.391(7) ?
  C8 C9 . 1.386(7) ?
  C9 C10 . 1.375(8) ?
  C10 C11 . 1.379(8) ?
  C11 C12 . 1.398(7) ?
  C13 C18 . 1.385(6) ?
  C13 C14 . 1.390(6) ?
  C14 C15 . 1.388(7) ?
  C15 C16 . 1.367(8) ?
  C16 C17 . 1.373(8) ?
  C17 C18 . 1.387(7) ?
  C19 C20 . 1.384(6) ?
  C19 C24 . 1.386(6) ?
  C20 C21 . 1.389(7) ?
  C21 C22 . 1.364(8) ?
  C22 C23 . 1.380(7) ?
  C23 C24 . 1.389(7) ?