#------------------------------------------------------------------------------
#$Date: 2011-01-02 20:00:31 +0000 (Sun, 02 Jan 2011) $
#$Revision: 5310 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005241.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_2005241
_publ_section_title
;
[2,2'-(1,3'-Bicyclohexenyl)]bis(triphenylphosphine)platinum(0)
Tetrahydrofuran Solvate
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1909
_journal_page_last               1911
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Pt (C12 H16) (C18 H15 P)2] , 0.85C4 H8 O'
_chemical_formula_moiety         'C48 H46 P2 Pt,0.85(C4 H8 O)'
_chemical_formula_sum            'C51.4 H52.8 O0.85 P2 Pt'
_chemical_formula_weight         941.17
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.58(1)
_cell_angle_beta                 84.04(1)
_cell_angle_gamma                85.54(1)
_cell_formula_units_Z            2
_cell_length_a                   9.711(1)
_cell_length_b                   10.907(2)
_cell_length_c                   20.669(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2170.8(6)
_exptl_crystal_density_diffrn    1.44
_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               2005241
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pt 1 .24217(2) .13824(2) .26017(1) .03605(8)
P1 1 .3556(1) .0988(1) .35189(6) .0346(3)
P2 1 .3336(2) -.0436(1) .20643(6) .0390(3)
C1 1 .1374(5) .2960(5) .2989(3) .043(1)
C1' 1 .1443(6) .2114(5) .1812(3) .050(1)
C2 1 .1245(7) .3974(5) .2489(3) .059(2)
H2 1 .2115(7) .4381(5) .2447(3) .08
C2' 1 .1140(8) .3350(6) .1852(3) .065(2)
C3 1 .0071(9) .4949(7) .2687(4) .084(2)
H3A 1 .0192(9) .5671(7) .2416(4) .08
H3B 1 -.0806(9) .4636(7) .2610(4) .08
C3' 1 .079(1) .4118(7) .1293(4) .103(3)
H3'A 1 .140(1) .4783(7) .1248(4) .08
H3'B 1 -.016(1) .4483(7) .1387(4) .08
C4 1 .0016(9) .5310(7) .3377(4) .088(2)
H4A 1 -.0732(9) .5943(7) .3477(4) .08
H4B 1 .0880(9) .5646(7) .3454(4) .08
C4' 1 .089(1) .3439(8) .0657(4) .130(4)
H4'A 1 .033(1) .3896(8) .0363(4) .08
H4'B 1 .185(1) .3402(8) .0463(4) .08
C5 1 -.0218(8) .4208(7) .3820(3) .075(2)
H5A 1 .0000(8) .4402(7) .4254(3) .08
H5B 1 -0.1189(8) .4041(7) .3850(3) .08
C5' 1 .0466(9) .2230(7) .0722(4) .085(2)
H5'A 1 .0613(9) .1828(7) .0301(4) .08
H5'B 1 -.0520(9) .2268(7) .0865(4) .08
C6 1 .0663(6) .3078(6) .3576(3) .053(2)
H6 1 .0716(6) .2409(6) .3856(3) .08
C6' 1 .1242(8) .1483(6) .1198(3) .071(2)
H6'A 1 .0751(8) .0757(6) .1307(3) .08
H6'B 1 .2149(8) .1208(6) .0984(3) .08
C11 1 .3342(5) .2129(5) .4185(2) .039(1)
C12 1 .2794(6) .1887(5) .4809(3) .049(1)
H12 1 .2495(6) .1087(5) .4921(3) .08
C13 1 .2674(7) .2802(7) .5280(3) .065(2)
H13 1 .2291(7) .2632(7) .5715(3) .08
C14 1 .3094(7) .3949(6) .5133(3) .067(2)
H14 1 .2990(7) .4581(6) .5459(3) .08
C15 1 .3664(8) .4189(6) .4512(3) .067(2)
H15 1 .3979(8) .4986(6) .4408(3) .08
C16 1 .3793(7) .3284(5) .4042(3) .057(2)
H16 1 .4195(7) .3463(5) .3611(3) .08
C21 1 .5449(5) .0943(5) .3366(3) .042(1)
C22 1 .6317(6) .0741(6) .3854(3) .055(2)
H22 1 .5948(6) .0550(6) .4289(3) .08
C23 1 .7738(7) .0804(7) .3701(4) .074(2)
H23 1 .8343(7) .0641(7) .4036(4) .08
C24 1 .8295(7) .1112(7) .3091(4) .076(2)
H24 1 .9281(7) .1140(7) .2996(4) .08
C25 1 .7422(7) .1352(7) .2620(4) .072(2)
H25 1 .7796(7) .1587(7) .2193(4) .08
C26 1 .6015(6) .1274(6) .2750(3) .055(2)
H26 1 .5419(6) .1448(6) .2412(3) .08
C31 1 .3038(6) -.0400(5) .3950(2) .041(1)
C32 1 .3903(7) -0.1238(5) .4260(3) .050(1)
H32 1 .4881(7) -0.1143(5) .4237(3) .08
C33 1 .3343(9) -0.2210(6) .4605(3) .067(2)
H33 1 .3942(9) -0.2777(6) .4825(3) .08
C34 1 .197(1) -0.2363(6) .4640(3) .078(2)
H34 1 .159(1) -0.3036(6) .4884(3) .08
C35 1 .1099(8) -0.1549(7) .4320(4) .082(2)
H35 1 .0127(8) -0.1668(7) .4335(4) .08
C36 1 .1636(6) -.0580(6) .3980(3) .062(2)
H36 1 .1030(6) -.0019(6) .3761(3) .08
C41 1 .4172(6) -0.1721(5) .2504(2) .040(1)
C42 1 .5572(6) -0.1767(5) .2591(3) .049(1)
H42 1 .6116(6) -0.1112(5) .2427(3) .08
C43 1 .6207(7) -0.2735(6) .2910(3) .063(2)
H43 1 .7179(7) -0.2757(6) .2964(3) .08
C44 1 .5442(8) -0.3674(6) .3151(3) .070(2)
H44 1 .5881(8) -0.4357(6) .3367(3) .08
C45 1 .4046(8) -0.3648(6) .3084(3) .065(2)
H45 1 .3505(8) -0.4293(6) .3264(3) .08
C46 1 .3423(6) -0.2680(5) .2754(3) .052(1)
H46 1 .2453(6) -0.2674(5) .2700(3) .08
C51 1 .1986(6) -0.1242(5) .1722(3) .048(1)
C52 1 .0679(7) -0.1161(7) .2054(4) .072(2)
H52 1 .0505(7) -.0695(7) .2450(4) .08
C53 1 -.0398(8) -0.1739(8) .1817(5) .093(3)
H53 1 -0.1307(8) -0.1686(8) .2052(5) .08
C54 1 -.016(1) -0.2387(7) .1253(5) .092(3)
H54 1 -.090(1) -0.2771(7) .1081(5) .08
C55 1 .111(1) -0.2486(7) .0926(4) .087(3)
H55 1 .129(1) -0.2956(7) .0531(4) .08
C56 1 .2194(7) -0.1912(5) .1163(3) .060(2)
H56 1 .3102(7) -0.1991(5) .0927(3) .08
C61 1 .4665(6) -.0231(5) .1385(2) .044(1)
C62 1 .4890(7) .0944(6) .1159(3) .057(2)
H62 1 .4312(7) .1636(6) .1342(3) .08
C63 1 .5922(8) .1127(7) .0664(3) .079(2)
H63 1 .6075(8) .1946(7) .0516(3) .08
C64 1 .6729(8) .0146(8) .0384(4) .083(2)
H64 1 .7441(8) .0278(8) .0038(4) .08
C65 1 .6527(7) -0.1017(8) .0600(3) .075(2)
H65 1 .7098(7) -0.1704(8) .0408(3) .08
C66 1 .5496(7) -0.1215(6) .1095(3) .059(2)
H66 1 .5356(7) -0.2039(6) .1239(3) .08