#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/24/4062465.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_4062465
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C53.5 H63.5 Cl F5 P2 Pt'
_chemical_formula_weight         1094.02
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 111.2526(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.6164(3)
_cell_length_b                   10.9064(1)
_cell_length_c                   32.1159(3)
_cell_measurement_temperature    173(2)
_cell_volume                     10321.09(17)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.408
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C53.50 H63.50 Cl F5 P2 Pt'
_cod_database_code               4062465
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.129864(7) 0.52413(2) -0.831760(7) 0.03184(9) Uani 1 1 d . . .
P1 P 0.19197(6) 0.64944(15) -0.80075(6) 0.0363(4) Uani 1 1 d D . .
Cl1 Cl 0.17348(6) 0.35764(15) -0.79058(7) 0.0512(5) Uani 1 1 d . . .
C1 C 0.2196(2) 0.6346(7) -0.7406(2) 0.0478(18) Uani 1 1 d D . .
H1A H 0.2382 0.5590 -0.7343 0.057 Uiso 1 1 calc R . .
H1B H 0.2406 0.7046 -0.7296 0.057 Uiso 1 1 calc R . .
P2 P 0.07138(5) 0.38961(15) -0.86703(5) 0.0330(3) Uani 1 1 d D . .
C2 C 0.1890(3) 0.6296(9) -0.7137(2) 0.058(2) Uani 1 1 d D . .
H2A H 0.1665 0.5628 -0.7250 0.069 Uiso 1 1 calc R . .
H2B H 0.1723 0.7079 -0.7169 0.069 Uiso 1 1 calc R . .
C3 C 0.2172(4) 0.6073(11) -0.6648(3) 0.079(3) Uani 1 1 d D . .
H3A H 0.2340 0.5295 -0.6626 0.095 Uiso 1 1 calc R . .
H3B H 0.2400 0.6738 -0.6546 0.095 Uiso 1 1 calc R . .
C4 C 0.1923(5) 0.6005(16) -0.6336(3) 0.120(5) Uani 1 1 d D . .
H4A H 0.1720 0.5281 -0.6409 0.144 Uiso 1 1 calc R . .
H4B H 0.1733 0.6748 -0.6369 0.144 Uiso 1 1 calc R . .
C5 C 0.2258(6) 0.591(2) -0.5856(4) 0.175(9) Uani 1 1 d D . .
H5A H 0.2487 0.5277 -0.5845 0.210 Uiso 1 1 calc R . .
H5B H 0.2419 0.6701 -0.5771 0.210 Uiso 1 1 calc R . .
C6 C 0.2059(7) 0.560(2) -0.5529(5) 0.203(11) Uani 1 1 d D . .
H6A H 0.1887 0.4824 -0.5608 0.243 Uiso 1 1 calc R . .
H6B H 0.1851 0.6261 -0.5509 0.243 Uiso 1 1 calc R . .
C7 C 0.2460(8) 0.548(2) -0.5094(5) 0.242(15) Uani 1 1 d D . .
H7A H 0.2651 0.4772 -0.5108 0.290 Uiso 1 1 calc R . .
H7B H 0.2649 0.6230 -0.5035 0.290 Uiso 1 1 calc R . .
C8 C 0.2276(6) 0.529(2) -0.4743(7) 0.191(5) Uani 1 1 d D . .
H8A H 0.2180 0.6106 -0.4674 0.229 Uiso 1 1 calc R . .
H8B H 0.2531 0.5024 -0.4474 0.229 Uiso 1 1 calc R . .
C9 C 0.1897(7) 0.4443(19) -0.4798(7) 0.191(5) Uani 1 1 d D . .
H9A H 0.1695 0.4425 -0.5116 0.229 Uiso 1 1 calc R . .
H9B H 0.1719 0.4745 -0.4621 0.229 Uiso 1 1 calc R . .
C10 C 0.2062(6) 0.3171(19) -0.4649(6) 0.191(5) Uani 1 1 d D . .
H10D H 0.2231 0.3139 -0.4323 0.229 Uiso 1 1 calc R . .
H10H H 0.2259 0.2865 -0.4806 0.229 Uiso 1 1 calc R . .
C11 C 0.1625(6) 0.244(2) -0.4780(5) 0.191(5) Uani 1 1 d D . .
H11A H 0.1677 0.1729 -0.4577 0.229 Uiso 1 1 calc R . .
H11B H 0.1392 0.2963 -0.4729 0.229 Uiso 1 1 calc R . .
C12 C 0.1438(5) 0.198(2) -0.5254(5) 0.191(5) Uani 1 1 d D . .
H12A H 0.1488 0.2631 -0.5446 0.229 Uiso 1 1 calc R . .
H12B H 0.1621 0.1266 -0.5273 0.229 Uiso 1 1 calc R . .
C13 C 0.0953(4) 0.1620(10) -0.5450(3) 0.087(3) Uani 1 1 d D . .
H13A H 0.0763 0.2323 -0.5431 0.104 Uiso 1 1 calc R . .
H13B H 0.0899 0.0943 -0.5270 0.104 Uiso 1 1 calc R . .
C14 C 0.0806(4) 0.1214(9) -0.5929(3) 0.076(3) Uani 1 1 d D . .
H14A H 0.0496 0.0870 -0.6018 0.091 Uiso 1 1 calc R . .
H14B H 0.1009 0.0544 -0.5948 0.091 Uiso 1 1 calc R . .
C15 C 0.0805(3) 0.2200(8) -0.6261(2) 0.060(2) Uani 1 1 d D . .
H15A H 0.0586 0.2844 -0.6258 0.072 Uiso 1 1 calc R . .
H15B H 0.1109 0.2581 -0.6163 0.072 Uiso 1 1 calc R . .
C16 C 0.0685(3) 0.1756(8) -0.6731(2) 0.056(2) Uani 1 1 d D . .
H16A H 0.0383 0.1359 -0.6826 0.067 Uiso 1 1 calc R . .
H16B H 0.0908 0.1122 -0.6734 0.067 Uiso 1 1 calc R . .
C17 C 0.0674(3) 0.2741(8) -0.7069(3) 0.0515(19) Uani 1 1 d D . .
H17A H 0.0950 0.3250 -0.6946 0.062 Uiso 1 1 calc R . .
H17B H 0.0409 0.3279 -0.7114 0.062 Uiso 1 1 calc R . .
C18 C 0.0645(3) 0.2231(7) -0.7525(3) 0.0494(18) Uani 1 1 d D . .
H18A H 0.0916 0.1721 -0.7484 0.059 Uiso 1 1 calc R . .
H18B H 0.0374 0.1697 -0.7644 0.059 Uiso 1 1 calc R . .
C19 C 0.0615(3) 0.3231(7) -0.7861(2) 0.0469(17) Uani 1 1 d D . .
H19A H 0.0872 0.3807 -0.7730 0.056 Uiso 1 1 calc R . .
H19B H 0.0330 0.3696 -0.7922 0.056 Uiso 1 1 calc R . .
C20 C 0.0628(2) 0.2727(6) -0.8298(2) 0.0443(16) Uani 1 1 d D . .
H20A H 0.0339 0.2295 -0.8457 0.053 Uiso 1 1 calc R . .
H20B H 0.0876 0.2117 -0.8229 0.053 Uiso 1 1 calc R . .
C31 C 0.0912(2) 0.6669(5) -0.8637(2) 0.0309(12) Uani 1 1 d . . .
F32 F 0.08790(14) 0.6048(4) -0.93501(12) 0.0438(9) Uani 1 1 d . . .
C32 C 0.0752(2) 0.6845(6) -0.9088(2) 0.0329(13) Uani 1 1 d . . .
F33 F 0.03230(15) 0.7884(4) -0.97562(13) 0.0530(11) Uani 1 1 d . . .
C33 C 0.0465(2) 0.7784(6) -0.9307(2) 0.0347(13) Uani 1 1 d . . .
F34 F 0.00358(15) 0.9515(4) -0.92771(16) 0.0556(11) Uani 1 1 d . . .
C34 C 0.0321(2) 0.8612(6) -0.9068(2) 0.0410(15) Uani 1 1 d . . .
F35 F 0.03431(18) 0.9324(5) -0.83673(17) 0.0643(13) Uani 1 1 d . . .
C35 C 0.0477(2) 0.8506(6) -0.8609(2) 0.0421(15) Uani 1 1 d . . .
F36 F 0.08977(16) 0.7465(4) -0.79525(13) 0.0508(10) Uani 1 1 d . . .
C36 C 0.0758(2) 0.7550(6) -0.8404(2) 0.0379(14) Uani 1 1 d . . .
C41 C 0.2381(2) 0.6159(7) -0.8215(2) 0.0460(17) Uani 1 1 d . . .
C42 C 0.2398(3) 0.5033(8) -0.8404(3) 0.058(2) Uani 1 1 d . . .
H42A H 0.2168 0.4441 -0.8436 0.070 Uiso 1 1 calc R . .
C43 C 0.2752(3) 0.4766(11) -0.8547(4) 0.084(3) Uani 1 1 d . . .
H43A H 0.2767 0.3985 -0.8672 0.101 Uiso 1 1 calc R . .
C44 C 0.3083(3) 0.5627(13) -0.8507(4) 0.092(4) Uani 1 1 d . . .
H44A H 0.3322 0.5445 -0.8611 0.110 Uiso 1 1 calc R . .
C45 C 0.3069(3) 0.6742(12) -0.8320(4) 0.081(3) Uani 1 1 d . . .
H45A H 0.3297 0.7335 -0.8295 0.097 Uiso 1 1 calc R . .
C46 C 0.2718(2) 0.7018(8) -0.8163(3) 0.054(2) Uani 1 1 d . . .
H46A H 0.2712 0.7783 -0.8024 0.065 Uiso 1 1 calc R . .
C51 C 0.1818(2) 0.8125(6) -0.8136(2) 0.0388(15) Uani 1 1 d . . .
C52 C 0.1724(2) 0.8494(7) -0.8577(3) 0.0478(18) Uani 1 1 d . . .
H52A H 0.1735 0.7912 -0.8793 0.057 Uiso 1 1 calc R . .
C53 C 0.1616(3) 0.9692(7) -0.8699(3) 0.056(2) Uani 1 1 d . . .
H53A H 0.1551 0.9933 -0.9000 0.067 Uiso 1 1 calc R . .
C54 C 0.1601(3) 1.0542(8) -0.8392(3) 0.062(2) Uani 1 1 d . . .
H54A H 0.1532 1.1373 -0.8479 0.074 Uiso 1 1 calc R . .
C55 C 0.1688(3) 1.0187(7) -0.7955(3) 0.057(2) Uani 1 1 d . . .
H55A H 0.1670 1.0776 -0.7744 0.069 Uiso 1 1 calc R . .
C56 C 0.1801(2) 0.8982(7) -0.7821(3) 0.0479(18) Uani 1 1 d . . .
H56A H 0.1865 0.8746 -0.7519 0.057 Uiso 1 1 calc R . .
C61 C 0.0159(2) 0.4607(6) -0.8951(2) 0.0360(13) Uani 1 1 d . . .
C62 C -0.0021(2) 0.5322(6) -0.8697(2) 0.0411(15) Uani 1 1 d . . .
H62A H 0.0139 0.5397 -0.8384 0.049 Uiso 1 1 calc R . .
C63 C -0.0430(3) 0.5926(7) -0.8895(3) 0.0500(18) Uani 1 1 d . . .
H63A H -0.0553 0.6398 -0.8717 0.060 Uiso 1 1 calc R . .
C64 C -0.0657(3) 0.5841(8) -0.9347(3) 0.055(2) Uani 1 1 d . . .
H64A H -0.0937 0.6264 -0.9483 0.066 Uiso 1 1 calc R . .
C65 C -0.0484(3) 0.5150(8) -0.9606(3) 0.054(2) Uani 1 1 d . . .
H65A H -0.0644 0.5097 -0.9920 0.064 Uiso 1 1 calc R . .
C66 C -0.0077(2) 0.4529(6) -0.9411(2) 0.0426(16) Uani 1 1 d . . .
H66A H 0.0042 0.4049 -0.9590 0.051 Uiso 1 1 calc R . .
C71 C 0.0836(2) 0.3012(6) -0.9095(2) 0.0356(13) Uani 1 1 d . . .
C72 C 0.0571(2) 0.2008(6) -0.9305(2) 0.0438(16) Uani 1 1 d . . .
H72A H 0.0315 0.1791 -0.9233 0.053 Uiso 1 1 calc R . .
C73 C 0.0678(3) 0.1324(7) -0.9615(3) 0.0492(18) Uani 1 1 d . . .
H73A H 0.0496 0.0639 -0.9754 0.059 Uiso 1 1 calc R . .
C74 C 0.1052(3) 0.1637(7) -0.9725(3) 0.055(2) Uani 1 1 d . . .
H74A H 0.1125 0.1175 -0.9941 0.066 Uiso 1 1 calc R . .
C75 C 0.1313(3) 0.2620(7) -0.9517(3) 0.0501(18) Uani 1 1 d . . .
H75A H 0.1571 0.2831 -0.9587 0.060 Uiso 1 1 calc R . .
C76 C 0.1207(2) 0.3311(7) -0.9208(2) 0.0418(15) Uani 1 1 d . . .
H76A H 0.1391 0.3996 -0.9071 0.050 Uiso 1 1 calc R . .
C101 C 0.0000 0.853(3) -0.7500 0.182(8) Uani 1 2 d S . .
H10A H 0.0000 0.9403 -0.7500 0.218 Uiso 1 2 calc SR . .
C102 C 0.0417(10) 0.7878(19) -0.7242(8) 0.182(8) Uani 1 1 d . . .
C103 C 0.0420(10) 0.6629(17) -0.7258(7) 0.182(8) Uani 1 1 d . . .
H10B H 0.0685 0.6152 -0.7116 0.218 Uiso 1 1 calc R . .
C104 C 0.0000 0.612(3) -0.7500 0.182(8) Uani 1 2 d S . .
H10C H 0.0000 0.5247 -0.7500 0.218 Uiso 1 2 calc SR . .
C107 C 0.0809(17) 0.843(3) -0.7034(14) 0.182(8) Uani 0.50 1 d P . .
H10E H 0.0761 0.9315 -0.7031 0.273 Uiso 0.50 1 calc PR . .
H10F H 0.1017 0.8251 -0.7190 0.273 Uiso 0.50 1 calc PR . .
H10G H 0.0939 0.8126 -0.6726 0.273 Uiso 0.50 1 calc PR . .
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 C31 2.016(6) . ?
Pt1 P1 2.3017(16) . ?
Pt1 P2 2.3101(16) . ?
Pt1 Cl1 2.3719(16) . ?
P1 C1 1.816(7) . ?
P1 C51 1.827(7) . ?
P1 C41 1.847(8) . ?
C1 C2 1.513(11) . ?
P2 C71 1.823(7) . ?
P2 C61 1.829(7) . ?
P2 C20 1.834(7) . ?
C2 C3 1.517(9) . ?
C3 C4 1.485(11) . ?
C4 C5 1.526(12) . ?
C5 C6 1.446(14) . ?
C6 C7 1.516(14) . ?
C7 C8 1.458(14) . ?
C8 C9 1.472(14) . ?
C9 C10 1.497(13) . ?
C10 C11 1.514(14) . ?
C11 C12 1.505(13) . ?
C12 C13 1.483(13) . ?
C13 C14 1.503(10) . ?
C14 C15 1.514(9) . ?
C15 C16 1.495(9) . ?
C16 C17 1.519(9) . ?
C17 C18 1.536(11) . ?
C18 C19 1.513(8) . ?
C19 C20 1.522(10) . ?
C31 C32 1.365(8) . ?
C31 C36 1.407(9) . ?
F32 C32 1.367(7) . ?
C32 C33 1.380(8) . ?
F33 C33 1.351(7) . ?
C33 C34 1.366(10) . ?
F34 C34 1.340(7) . ?
C34 C35 1.381(10) . ?
F35 C35 1.347(8) . ?
C35 C36 1.372(9) . ?
F36 C36 1.358(7) . ?
C41 C42 1.379(11) . ?
C41 C46 1.382(11) . ?
C42 C43 1.386(13) . ?
C43 C44 1.376(16) . ?
C44 C45 1.366(16) . ?
C45 C46 1.406(13) . ?
C51 C56 1.393(10) . ?
C51 C52 1.398(10) . ?
C52 C53 1.371(10) . ?
C53 C54 1.365(13) . ?
C54 C55 1.386(13) . ?
C55 C56 1.388(11) . ?
C61 C62 1.391(10) . ?
C61 C66 1.393(9) . ?
C62 C63 1.385(10) . ?
C63 C64 1.371(11) . ?
C64 C65 1.376(12) . ?
C65 C66 1.388(10) . ?
C71 C76 1.386(10) . ?
C71 C72 1.395(9) . ?
C72 C73 1.380(11) . ?
C73 C74 1.395(12) . ?
C74 C75 1.370(11) . ?
C75 C76 1.380(10) . ?
C101 C102 1.46(3) . ?
C101 C102 1.46(3) 2_553 ?
C102 C107 1.32(5) . ?
C102 C103 1.36(3) . ?
C103 C104 1.39(2) . ?
C104 C103 1.39(2) 2_553 ?
