#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/25/4062568.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_4062568
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om034238i
_journal_year                    2004
_chemical_formula_sum            'C46 H64 O2 P4 Pt'
_chemical_formula_weight         967.94
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.549(5)
_cell_angle_beta                 109.599(4)
_cell_angle_gamma                106.104(5)
_cell_formula_units_Z            2
_cell_length_a                   11.077(3)
_cell_length_b                   14.132(4)
_cell_length_c                   15.845(5)
_cell_measurement_temperature    173(2)
_cell_volume                     2230.4(11)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.441
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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               4062568
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.00200(2) 0.721120(17) 0.729738(16) 0.02491(13) Uani 1 1 d . . .
P1 P -0.05383(16) 0.74074(11) 0.85558(11) 0.0243(4) Uani 1 1 d . . .
P2 P 0.08041(18) 0.58628(12) 0.74013(12) 0.0298(4) Uani 1 1 d . . .
P3 P 0.15570(16) 0.87481(12) 0.74428(11) 0.0244(4) Uani 1 1 d . . .
P4 P -0.16749(18) 0.69863(13) 0.59291(12) 0.0314(4) Uani 1 1 d . . .
O1 O 0.1544(4) 0.6486(3) 0.9352(3) 0.0281(10) Uani 1 1 d . . .
O2 O -0.0865(4) 0.9166(3) 0.6292(3) 0.0286(10) Uani 1 1 d . . .
C1 C 0.1875(7) 0.7398(4) 0.9840(4) 0.0281(15) Uani 1 1 d . . .
C2 C 0.0950(6) 0.7922(4) 0.9563(4) 0.0252(14) Uani 1 1 d . . .
C3 C 0.1322(6) 0.8851(5) 1.0038(4) 0.0285(15) Uani 1 1 d . . .
H3A H 0.0716 0.9237 0.9888 0.034 Uiso 1 1 calc R . .
C4 C 0.2545(7) 0.9226(5) 1.0721(4) 0.0329(16) Uani 1 1 d . . .
H4A H 0.2779 0.9870 1.1023 0.039 Uiso 1 1 calc R . .
C5 C 0.3431(7) 0.8676(5) 1.0969(4) 0.0348(17) Uani 1 1 d . . .
H5A H 0.4273 0.8946 1.1440 0.042 Uiso 1 1 calc R . .
C6 C 0.3107(6) 0.7726(5) 1.0538(4) 0.0290(15) Uani 1 1 d . . .
C7 C 0.3944(6) 0.7014(5) 1.0791(5) 0.0339(16) Uani 1 1 d . . .
C8 C 0.3834(6) 0.6503(5) 0.9907(5) 0.0320(16) Uani 1 1 d . . .
C9 C 0.4878(7) 0.6243(5) 0.9742(5) 0.0418(18) Uani 1 1 d . . .
H9A H 0.5727 0.6369 1.0210 0.050 Uiso 1 1 calc R . .
C10 C 0.4674(8) 0.5807(6) 0.8907(5) 0.0458(19) Uani 1 1 d . . .
H10A H 0.5383 0.5625 0.8808 0.055 Uiso 1 1 calc R . .
C11 C 0.3453(7) 0.5628(5) 0.8206(5) 0.0406(18) Uani 1 1 d . . .
H11A H 0.3343 0.5324 0.7637 0.049 Uiso 1 1 calc R . .
C12 C 0.2375(7) 0.5886(4) 0.8320(5) 0.0311(16) Uani 1 1 d . . .
C13 C 0.2619(6) 0.6279(4) 0.9197(4) 0.0283(15) Uani 1 1 d . . .
C14 C 0.5409(7) 0.7540(6) 1.1371(6) 0.056(2) Uani 1 1 d . . .
H14A H 0.5904 0.7051 1.1526 0.084 Uiso 1 1 calc R . .
H14B H 0.5444 0.7879 1.1925 0.084 Uiso 1 1 calc R . .
H14C H 0.5818 0.8026 1.1034 0.084 Uiso 1 1 calc R . .
C15 C 0.3339(8) 0.6251(5) 1.1338(5) 0.0448(19) Uani 1 1 d . . .
H15A H 0.3877 0.5792 1.1517 0.067 Uiso 1 1 calc R . .
H15B H 0.2416 0.5879 1.0967 0.067 Uiso 1 1 calc R . .
H15C H 0.3339 0.6595 1.1877 0.067 Uiso 1 1 calc R . .
C16 C -0.1539(7) 0.8259(5) 0.8589(4) 0.0324(16) Uani 1 1 d . . .
H16A H -0.1510 0.8372 0.9214 0.039 Uiso 1 1 calc R . .
H16B H -0.1132 0.8906 0.8412 0.039 Uiso 1 1 calc R . .
C17 C -0.3001(7) 0.7846(6) 0.7963(5) 0.0415(18) Uani 1 1 d . . .
H17A H -0.3491 0.8316 0.8004 0.062 Uiso 1 1 calc R . .
H17B H -0.3413 0.7211 0.8142 0.062 Uiso 1 1 calc R . .
H17C H -0.3036 0.7748 0.7341 0.062 Uiso 1 1 calc R . .
C18 C -0.1413(6) 0.6303(5) 0.8967(4) 0.0287(15) Uani 1 1 d . . .
H18A H -0.2324 0.6024 0.8512 0.034 Uiso 1 1 calc R . .
H18B H -0.0933 0.5802 0.8992 0.034 Uiso 1 1 calc R . .
C19 C -0.1557(7) 0.6433(5) 0.9879(5) 0.0433(19) Uani 1 1 d . . .
H19A H -0.2021 0.5790 1.0020 0.065 Uiso 1 1 calc R . .
H19B H -0.2078 0.6896 0.9861 0.065 Uiso 1 1 calc R . .
H19C H -0.0665 0.6696 1.0345 0.065 Uiso 1 1 calc R . .
C20 C 0.1099(8) 0.5464(5) 0.6394(5) 0.0432(19) Uani 1 1 d . . .
H20A H 0.1501 0.4913 0.6530 0.052 Uiso 1 1 calc R . .
H20B H 0.0224 0.5204 0.5897 0.052 Uiso 1 1 calc R . .
C21 C 0.2017(8) 0.6283(6) 0.6074(5) 0.051(2) Uani 1 1 d . . .
H21A H 0.2135 0.6015 0.5545 0.076 Uiso 1 1 calc R . .
H21B H 0.2892 0.6540 0.6558 0.076 Uiso 1 1 calc R . .
H21C H 0.1612 0.6821 0.5915 0.076 Uiso 1 1 calc R . .
C22 C -0.0287(7) 0.4688(5) 0.7551(5) 0.0397(18) Uani 1 1 d . . .
H22A H -0.0425 0.4784 0.8128 0.048 Uiso 1 1 calc R . .
H22B H -0.1173 0.4559 0.7065 0.048 Uiso 1 1 calc R . .
C23 C 0.0145(9) 0.3755(5) 0.7557(6) 0.059(2) Uani 1 1 d . . .
H23A H -0.0560 0.3186 0.7611 0.089 Uiso 1 1 calc R . .
H23B H 0.0978 0.3836 0.8069 0.089 Uiso 1 1 calc R . .
H23C H 0.0295 0.3641 0.6994 0.089 Uiso 1 1 calc R . .
C24 C -0.0275(6) 0.9835(4) 0.7076(4) 0.0255(15) Uani 1 1 d . . .
C25 C 0.0948(6) 0.9765(4) 0.7675(4) 0.0240(14) Uani 1 1 d . . .
C26 C 0.1513(6) 1.0414(4) 0.8471(4) 0.0280(15) Uani 1 1 d . . .
H26A H 0.2340 1.0398 0.8906 0.034 Uiso 1 1 calc R . .
C27 C 0.0890(7) 1.1077(5) 0.8636(5) 0.0327(16) Uani 1 1 d . . .
H27A H 0.1304 1.1520 0.9177 0.039 Uiso 1 1 calc R . .
C28 C -0.0335(7) 1.1110(5) 0.8026(4) 0.0307(16) Uani 1 1 d . . .
H28A H -0.0764 1.1559 0.8157 0.037 Uiso 1 1 calc R . .
C29 C -0.0929(6) 1.0482(4) 0.7221(4) 0.0252(14) Uani 1 1 d . . .
C30 C -0.2230(7) 1.0492(5) 0.6467(4) 0.0294(15) Uani 1 1 d . . .
C31 C -0.2989(7) 0.9421(5) 0.6084(4) 0.0296(15) Uani 1 1 d . . .
C32 C -0.4375(7) 0.9015(5) 0.5787(5) 0.0398(18) Uani 1 1 d . . .
H32A H -0.4916 0.9422 0.5818 0.048 Uiso 1 1 calc R . .
C33 C -0.4976(8) 0.8028(5) 0.5448(5) 0.0437(19) Uani 1 1 d . . .
H33A H -0.5927 0.7768 0.5227 0.052 Uiso 1 1 calc R . .
C34 C -0.4202(7) 0.7416(5) 0.5429(5) 0.0408(18) Uani 1 1 d . . .
H34A H -0.4632 0.6738 0.5198 0.049 Uiso 1 1 calc R . .
C35 C -0.2799(7) 0.7773(5) 0.5744(4) 0.0320(16) Uani 1 1 d . . .
C36 C -0.2256(6) 0.8788(5) 0.6022(4) 0.0277(15) Uani 1 1 d . . .
C37 C -0.1820(7) 1.1075(5) 0.5740(4) 0.0378(17) Uani 1 1 d . . .
H37A H -0.1328 1.1766 0.5990 0.057 Uiso 1 1 calc R . .
H37B H -0.2626 1.1052 0.5224 0.057 Uiso 1 1 calc R . .
H37C H -0.1245 1.0777 0.5542 0.057 Uiso 1 1 calc R . .
C38 C -0.3066(7) 1.0993(5) 0.6801(5) 0.0390(17) Uani 1 1 d . . .
H38A H -0.2543 1.1683 0.7040 0.059 Uiso 1 1 calc R . .
H38B H -0.3307 1.0640 0.7278 0.059 Uiso 1 1 calc R . .
H38C H -0.3884 1.0980 0.6299 0.059 Uiso 1 1 calc R . .
C39 C 0.2052(7) 0.9162(5) 0.6471(4) 0.0292(15) Uani 1 1 d . . .
H39A H 0.2506 0.8705 0.6324 0.035 Uiso 1 1 calc R . .
H39B H 0.1223 0.9092 0.5946 0.035 Uiso 1 1 calc R . .
C40 C 0.2967(7) 1.0219(5) 0.6581(5) 0.0442(19) Uani 1 1 d . . .
H40A H 0.3152 1.0351 0.6023 0.066 Uiso 1 1 calc R . .
H40B H 0.3812 1.0297 0.7081 0.066 Uiso 1 1 calc R . .
H40C H 0.2525 1.0686 0.6708 0.066 Uiso 1 1 calc R . .
C41 C 0.3208(6) 0.9062(5) 0.8357(4) 0.0284(15) Uani 1 1 d . . .
H41A H 0.3660 0.9781 0.8403 0.034 Uiso 1 1 calc R . .
H41B H 0.3072 0.8922 0.8935 0.034 Uiso 1 1 calc R . .
C42 C 0.4119(7) 0.8489(5) 0.8214(5) 0.0409(18) Uani 1 1 d . . .
H42A H 0.4979 0.8688 0.8717 0.061 Uiso 1 1 calc R . .
H42B H 0.4272 0.8634 0.7649 0.061 Uiso 1 1 calc R . .
H42C H 0.3690 0.7777 0.8185 0.061 Uiso 1 1 calc R . .
C43 C -0.2892(7) 0.5727(5) 0.5614(5) 0.0437(19) Uani 1 1 d . . .
H43A H -0.3629 0.5727 0.5047 0.052 Uiso 1 1 calc R . .
H43B H -0.2436 0.5258 0.5492 0.052 Uiso 1 1 calc R . .
C44 C -0.3485(8) 0.5359(6) 0.6310(5) 0.053(2) Uani 1 1 d . . .
H44A H -0.4118 0.4694 0.6093 0.079 Uiso 1 1 calc R . .
H44B H -0.3959 0.5809 0.6427 0.079 Uiso 1 1 calc R . .
H44C H -0.2768 0.5334 0.6869 0.079 Uiso 1 1 calc R . .
C45 C -0.1209(8) 0.7149(6) 0.4918(5) 0.0454(19) Uani 1 1 d . . .
H45A H -0.0567 0.7820 0.5008 0.055 Uiso 1 1 calc R . .
H45B H -0.0716 0.6669 0.4891 0.055 Uiso 1 1 calc R . .
C46 C -0.2311(9) 0.7035(7) 0.3990(5) 0.066(3) Uani 1 1 d . . .
H46A H -0.1900 0.7162 0.3527 0.098 Uiso 1 1 calc R . .
H46B H -0.2808 0.7510 0.3992 0.098 Uiso 1 1 calc R . .
H46C H -0.2927 0.6359 0.3861 0.098 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 P2 2.2893(18) . ?
Pt1 P4 2.2915(18) . ?
Pt1 P3 2.3119(17) . ?
Pt1 P1 2.3124(17) . ?
P1 C2 1.828(6) . ?
P1 C18 1.844(6) . ?
P1 C16 1.860(6) . ?
P2 C22 1.834(7) . ?
P2 C20 1.846(7) . ?
P2 C12 1.848(7) . ?
P3 C25 1.830(6) . ?
P3 C41 1.844(6) . ?
P3 C39 1.849(6) . ?
P4 C45 1.839(7) . ?
P4 C35 1.845(7) . ?
P4 C43 1.854(7) . ?
O1 C1 1.386(7) . ?
O1 C13 1.396(7) . ?
O2 C36 1.392(8) . ?
O2 C24 1.398(7) . ?
C1 C2 1.384(9) . ?
C1 C6 1.387(9) . ?
C2 C3 1.391(8) . ?
C3 C4 1.376(9) . ?
C4 C5 1.375(9) . ?
C5 C6 1.396(9) . ?
C6 C7 1.520(9) . ?
C7 C8 1.522(9) . ?
C7 C14 1.533(9) . ?
C7 C15 1.539(10) . ?
C8 C13 1.385(9) . ?
C8 C9 1.405(10) . ?
C9 C10 1.374(10) . ?
C10 C11 1.387(10) . ?
C11 C12 1.406(9) . ?
C12 C13 1.402(9) . ?
C16 C17 1.527(9) . ?
C18 C19 1.522(9) . ?
C20 C21 1.529(11) . ?
C22 C23 1.522(10) . ?
C24 C29 1.374(9) . ?
C24 C25 1.401(9) . ?
C25 C26 1.398(8) . ?
C26 C27 1.378(9) . ?
C27 C28 1.391(9) . ?
C28 C29 1.392(9) . ?
C29 C30 1.536(9) . ?
C30 C31 1.518(9) . ?
C30 C38 1.524(9) . ?
C30 C37 1.541(9) . ?
C31 C36 1.387(9) . ?
C31 C32 1.389(10) . ?
C32 C33 1.382(10) . ?
C33 C34 1.383(10) . ?
C34 C35 1.399(9) . ?
C35 C36 1.394(9) . ?
C39 C40 1.524(9) . ?
C41 C42 1.526(9) . ?
C43 C44 1.492(11) . ?
C45 C46 1.536(10) . ?
