#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/24/4062463.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_4062463
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C48 H56 Cl F5 P2 Pt'
_chemical_formula_weight         1020.41
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.8320(2)
_cell_length_b                   15.7170(1)
_cell_length_c                   31.3740(4)
_cell_measurement_temperature    173(2)
_cell_volume                     9286.16(17)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.460
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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_database_code               4062463
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -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 0.033817(8) 0.184367(9) 0.660061(5) 0.03224(7) Uani 1 1 d . . .
P1 P 0.00213(6) 0.27388(7) 0.71478(4) 0.0373(2) Uani 1 1 d . . .
Cl1 Cl 0.15154(6) 0.23357(8) 0.66468(4) 0.0549(3) Uani 1 1 d . . .
C1A C 0.0402(2) 0.3811(3) 0.71269(14) 0.0439(11) Uani 1 1 d . . .
H1AA H 0.0121 0.4177 0.7320 0.053 Uiso 1 1 calc R . .
H1AB H 0.0888 0.3779 0.7246 0.053 Uiso 1 1 calc R . .
P2 P 0.07166(6) 0.09505(7) 0.60664(4) 0.0430(3) Uani 1 1 d . . .
C2A C 0.0451(3) 0.4267(3) 0.66961(15) 0.0485(12) Uani 1 1 d . . .
H2AA H 0.0665 0.3881 0.6482 0.058 Uiso 1 1 calc R . .
H2AB H -0.0032 0.4420 0.6597 0.058 Uiso 1 1 calc R . .
C3A C 0.0896(3) 0.5060(3) 0.67351(15) 0.0468(11) Uani 1 1 d . . .
H3AA H 0.1365 0.4902 0.6854 0.056 Uiso 1 1 calc R . .
H3AB H 0.0664 0.5449 0.6941 0.056 Uiso 1 1 calc R . .
C4A C 0.1010(3) 0.5533(3) 0.63180(15) 0.0487(11) Uani 1 1 d . . .
H4AA H 0.0547 0.5744 0.6212 0.058 Uiso 1 1 calc R . .
H4AB H 0.1202 0.5133 0.6103 0.058 Uiso 1 1 calc R . .
C5A C 0.1520(3) 0.6284(3) 0.63666(17) 0.0562(13) Uani 1 1 d . . .
H5AA H 0.1294 0.6714 0.6553 0.067 Uiso 1 1 calc R . .
H5AB H 0.1954 0.6081 0.6514 0.067 Uiso 1 1 calc R . .
C6A C 0.1741(3) 0.6716(3) 0.59521(18) 0.0566(13) Uani 1 1 d . . .
H6AA H 0.2134 0.7117 0.6013 0.068 Uiso 1 1 calc R . .
H6AB H 0.1925 0.6278 0.5754 0.068 Uiso 1 1 calc R . .
C7A C 0.1150(3) 0.7194(3) 0.57357(18) 0.0622(14) Uani 1 1 d . . .
H7AA H 0.0930 0.7588 0.5944 0.075 Uiso 1 1 calc R . .
H7AB H 0.0781 0.6784 0.5644 0.075 Uiso 1 1 calc R . .
C8A C 0.1401(3) 0.7710(3) 0.53429(19) 0.0699(16) Uani 1 1 d . . .
H8AA H 0.0985 0.8005 0.5218 0.084 Uiso 1 1 calc R . .
H8AB H 0.1738 0.8153 0.5441 0.084 Uiso 1 1 calc R . .
C9A C 0.1755(3) 0.7194(3) 0.49971(18) 0.0663(15) Uani 1 1 d . . .
H9AA H 0.1915 0.7586 0.4769 0.080 Uiso 1 1 calc R . .
H9AB H 0.2183 0.6919 0.5118 0.080 Uiso 1 1 calc R . .
C10A C 0.1299(3) 0.6525(3) 0.48028(17) 0.0543(12) Uani 1 1 d . . .
H10A H 0.0872 0.6799 0.4680 0.065 Uiso 1 1 calc R . .
H10B H 0.1137 0.6133 0.5030 0.065 Uiso 1 1 calc R . .
C11 C -0.0652(2) 0.1372(2) 0.65798(13) 0.0344(9) Uani 1 1 d . . .
C11A C 0.1666(3) 0.6004(3) 0.44544(18) 0.0609(14) Uani 1 1 d . . .
H11A H 0.1895 0.6397 0.4250 0.073 Uiso 1 1 calc R . .
H11B H 0.2043 0.5651 0.4585 0.073 Uiso 1 1 calc R . .
C12 C -0.1184(2) 0.1721(3) 0.63420(16) 0.0440(11) Uani 1 1 d . . .
C12A C 0.1162(3) 0.5437(4) 0.42184(19) 0.0728(16) Uani 1 1 d . . .
H12A H 0.1429 0.5134 0.3993 0.087 Uiso 1 1 calc R . .
H12B H 0.0802 0.5798 0.4076 0.087 Uiso 1 1 calc R . .
F12 F -0.10581(15) 0.2411(2) 0.61013(11) 0.0716(9) Uani 1 1 d . . .
C13A C 0.0781(3) 0.4788(3) 0.44878(18) 0.0663(15) Uani 1 1 d . . .
H13A H 0.0442 0.4476 0.4304 0.080 Uiso 1 1 calc R . .
H13B H 0.0501 0.5092 0.4707 0.080 Uiso 1 1 calc R . .
F13 F -0.23714(18) 0.1759(2) 0.60906(14) 0.0966(13) Uani 1 1 d . . .
C13 C -0.1866(3) 0.1392(3) 0.63276(19) 0.0601(14) Uani 1 1 d . . .
F14 F -0.26881(17) 0.0358(2) 0.65491(15) 0.1015(15) Uani 1 1 d . . .
C14A C 0.1254(3) 0.4146(3) 0.47088(17) 0.0574(13) Uani 1 1 d . . .
H14A H 0.1600 0.4451 0.4891 0.069 Uiso 1 1 calc R . .
H14B H 0.1524 0.3823 0.4492 0.069 Uiso 1 1 calc R . .
C14 C -0.2030(3) 0.0692(4) 0.6564(2) 0.0647(16) Uani 1 1 d . . .
C15A C 0.0830(3) 0.3525(3) 0.4983(2) 0.0655(15) Uani 1 1 d . . .
H15A H 0.0581 0.3854 0.5207 0.079 Uiso 1 1 calc R . .
H15B H 0.0463 0.3256 0.4802 0.079 Uiso 1 1 calc R . .
F15 F -0.1663(2) -0.0363(2) 0.70509(17) 0.129(2) Uani 1 1 d . . .
C15 C -0.1520(3) 0.0324(3) 0.6810(2) 0.0702(17) Uani 1 1 d . . .
F16 F -0.03556(16) 0.0267(2) 0.70570(14) 0.0894(13) Uani 1 1 d . . .
C16A C 0.1249(3) 0.2843(3) 0.51923(19) 0.0567(13) Uani 1 1 d . . .
H16A H 0.1623 0.3104 0.5371 0.068 Uiso 1 1 calc R . .
H16B H 0.1485 0.2494 0.4971 0.068 Uiso 1 1 calc R . .
C16 C -0.0847(3) 0.0666(3) 0.68136(19) 0.0569(14) Uani 1 1 d . . .
C17A C 0.0787(3) 0.2271(3) 0.54679(19) 0.0621(15) Uani 1 1 d . . .
H17A H 0.0584 0.2611 0.5704 0.074 Uiso 1 1 calc R . .
H17B H 0.0388 0.2052 0.5294 0.074 Uiso 1 1 calc R . .
C18A C 0.1194(3) 0.1526(3) 0.56530(17) 0.0533(12) Uani 1 1 d . . .
H18A H 0.1646 0.1738 0.5773 0.064 Uiso 1 1 calc R . .
H18B H 0.1311 0.1125 0.5420 0.064 Uiso 1 1 calc R . .
C21 C 0.0334(2) 0.2345(3) 0.76619(16) 0.0501(12) Uani 1 1 d . . .
C22 C 0.0689(3) 0.1582(3) 0.76902(19) 0.0646(15) Uani 1 1 d . . .
H22A H 0.0761 0.1253 0.7440 0.077 Uiso 1 1 calc R . .
C23 C 0.0943(4) 0.1284(4) 0.8073(3) 0.089(2) Uani 1 1 d . . .
H23A H 0.1177 0.0749 0.8083 0.107 Uiso 1 1 calc R . .
C24 C 0.0864(5) 0.1735(6) 0.8429(2) 0.095(3) Uani 1 1 d . . .
H24A H 0.1056 0.1538 0.8691 0.114 Uiso 1 1 calc R . .
C25 C 0.0502(5) 0.2487(8) 0.8411(2) 0.120(3) Uani 1 1 d . . .
H25A H 0.0428 0.2805 0.8664 0.144 Uiso 1 1 calc R . .
C26 C 0.0244(4) 0.2788(5) 0.8031(2) 0.092(2) Uani 1 1 d . . .
H26A H -0.0002 0.3316 0.8025 0.110 Uiso 1 1 calc R . .
C31 C -0.0927(3) 0.2850(3) 0.72168(14) 0.0423(10) Uani 1 1 d . . .
C32 C -0.1309(3) 0.2308(3) 0.74783(17) 0.0511(12) Uani 1 1 d . . .
H32A H -0.1059 0.1914 0.7652 0.061 Uiso 1 1 calc R . .
C33 C -0.2038(3) 0.2320(4) 0.74940(19) 0.0624(14) Uani 1 1 d . . .
H33A H -0.2284 0.1951 0.7683 0.075 Uiso 1 1 calc R . .
C34 C -0.2409(3) 0.2866(4) 0.7237(2) 0.0690(16) Uani 1 1 d . . .
H34A H -0.2914 0.2869 0.7244 0.083 Uiso 1 1 calc R . .
C35 C -0.2049(3) 0.3415(4) 0.6967(2) 0.0740(18) Uani 1 1 d . . .
H35A H -0.2304 0.3797 0.6789 0.089 Uiso 1 1 calc R . .
C36 C -0.1316(3) 0.3400(3) 0.69595(19) 0.0582(14) Uani 1 1 d . . .
H36A H -0.1071 0.3775 0.6773 0.070 Uiso 1 1 calc R . .
C41 C 0.1346(3) 0.0168(3) 0.62742(19) 0.0541(13) Uani 1 1 d . . .
C42 C 0.1292(4) -0.0050(4) 0.6699(2) 0.083(2) Uani 1 1 d . . .
H42A H 0.0942 0.0216 0.6872 0.099 Uiso 1 1 calc R . .
C43 C 0.1746(4) -0.0655(4) 0.6878(3) 0.102(2) Uani 1 1 d . . .
H43A H 0.1709 -0.0801 0.7171 0.123 Uiso 1 1 calc R . .
C44 C 0.2235(4) -0.1029(4) 0.6629(3) 0.084(2) Uani 1 1 d . . .
H44A H 0.2536 -0.1451 0.6749 0.101 Uiso 1 1 calc R . .
C45 C 0.2313(3) -0.0823(4) 0.6209(2) 0.0727(17) Uani 1 1 d . . .
H45A H 0.2672 -0.1085 0.6042 0.087 Uiso 1 1 calc R . .
C46 C 0.1854(3) -0.0215(3) 0.6027(2) 0.0687(16) Uani 1 1 d . . .
H46A H 0.1897 -0.0071 0.5734 0.082 Uiso 1 1 calc R . .
C51 C 0.0032(3) 0.0319(3) 0.57953(16) 0.0455(11) Uani 1 1 d . . .
C52 C 0.0046(4) -0.0552(4) 0.5797(2) 0.085(2) Uani 1 1 d . . .
H52A H 0.0440 -0.0849 0.5915 0.102 Uiso 1 1 calc R . .
C53 C -0.0534(5) -0.1006(4) 0.5621(3) 0.102(3) Uani 1 1 d . . .
H53A H -0.0531 -0.1610 0.5624 0.122 Uiso 1 1 calc R . .
C54 C -0.1087(3) -0.0591(4) 0.5449(2) 0.0725(17) Uani 1 1 d . . .
H54A H -0.1505 -0.0889 0.5368 0.087 Uiso 1 1 calc R . .
C55 C -0.1038(4) 0.0243(4) 0.5394(2) 0.0809(19) Uani 1 1 d . . .
H55A H -0.1386 0.0529 0.5228 0.097 Uiso 1 1 calc R . .
C56 C -0.0493(3) 0.0703(4) 0.5574(2) 0.0707(17) Uani 1 1 d . . .
H56A H -0.0485 0.1304 0.5541 0.085 Uiso 1 1 calc R . .
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 C11 2.008(4) . ?
Pt1 P1 2.2984(11) . ?
Pt1 P2 2.2995(12) . ?
Pt1 Cl1 2.3524(12) . ?
P1 C31 1.808(5) . ?
P1 C21 1.825(5) . ?
P1 C1A 1.833(4) . ?
C1A C2A 1.532(6) . ?
P2 C18A 1.818(5) . ?
P2 C41 1.828(5) . ?
P2 C51 1.835(5) . ?
C2A C3A 1.506(6) . ?
C3A C4A 1.520(6) . ?
C4A C5A 1.530(6) . ?
C5A C6A 1.525(7) . ?
C6A C7A 1.505(7) . ?
C7A C8A 1.549(7) . ?
C8A C9A 1.510(8) . ?
C9A C10A 1.489(7) . ?
C10A C11A 1.531(7) . ?
C11 C12 1.363(6) . ?
C11 C16 1.380(6) . ?
C11A C12A 1.499(8) . ?
C12 F12 1.343(5) . ?
C12 C13 1.386(6) . ?
C12A C13A 1.507(7) . ?
C13A C14A 1.513(7) . ?
F13 C13 1.339(6) . ?
C13 C14 1.362(8) . ?
F14 C14 1.347(6) . ?
C14A C15A 1.527(7) . ?
C14 C15 1.359(8) . ?
C15A C16A 1.484(7) . ?
F15 C15 1.346(6) . ?
C15 C16 1.377(7) . ?
F16 C16 1.354(5) . ?
C16A C17A 1.520(7) . ?
C17A C18A 1.514(7) . ?
C21 C26 1.362(8) . ?
C21 C22 1.377(7) . ?
C22 C23 1.373(8) . ?
C23 C24 1.333(10) . ?
C24 C25 1.365(12) . ?
C25 C26 1.371(9) . ?
C31 C32 1.385(6) . ?
C31 C36 1.390(7) . ?
C32 C33 1.373(7) . ?
C33 C34 1.369(8) . ?
C34 C35 1.387(8) . ?
C35 C36 1.381(7) . ?
C41 C46 1.372(7) . ?
C41 C42 1.380(8) . ?
C42 C43 1.398(8) . ?
C43 C44 1.343(9) . ?
C44 C45 1.363(9) . ?
C45 C46 1.410(8) . ?
C51 C56 1.350(7) . ?
C51 C52 1.370(7) . ?
C52 C53 1.416(9) . ?
C53 C54 1.343(9) . ?
C54 C55 1.325(8) . ?
C55 C56 1.378(7) . ?
