#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005471.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_2005471
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	2460
_journal_page_last    	2462
_publ_section_title    	
;
A Diphenylcyclopropene Complex of Tungsten,
[WCl~2~O(PMePh~2~)~2~(\h^2^-3,3-diphenylcyclopropene)],
Precursor to a Tungsten-Oxo-Olefin Metathesis Catalyst
;
_chemical_formula_iupac    	'[W Cl2 O (C15 H12) (C13 H13 P)2]'
_chemical_formula_sum    	'C41 H38 Cl2 O P2 W'
_chemical_formula_weight    	863.40
_symmetry_cell_setting    	Monoclinic
loop_
_symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_symmetry_space_group_name_H-M    	P21/c
_cell_length_a    	18.494(8)
_cell_length_b    	9.857(3)
_cell_length_c    	20.886(8)
_cell_angle_alpha    	90.00
_cell_angle_beta    	100.83(3)
_cell_angle_gamma    	90.00
_cell_volume    	3739(2)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.534
_cell_measurement_temperature    	293(2)
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
    W 1 0.31356(2) 0.42740(3) 0.61310(2) 0.04762(11)
    Cl1 1 0.36047(10) 0.2450(2) 0.54942(9) 0.0606(5)
    Cl2 1 0.43464(11) 0.5363(2) 0.61693(11) 0.0761(7)
    P1 1 0.29081(11) 0.5501(2) 0.50146(9) 0.0541(5)
    P2 1 0.39009(10) 0.2891(2) 0.70818(9) 0.0488(5)
    O1 1 0.2902(2) 0.5577(4) 0.6579(2) 0.0545(13)
    C1 1 0.2050(4) 0.3599(7) 0.5727(3) 0.048(2)
    H1 1 0.1911(4) 0.3173(7) 0.5297(3) 0.072
    C2 1 0.2328(4) 0.2865(7) 0.6322(3) 0.050(2)
    H2 1 0.2401(4) 0.1880(7) 0.6345(3) 0.075
    C3 1 0.1593(4) 0.3543(7) 0.6251(3) 0.049(2)
    C5 1 0.3697(4) 0.5525(8) 0.4610(4) 0.078(3)
    H5A 1 0.4117(4) 0.5884(8) 0.4902(4) 0.117
    H5B 1 0.3588(4) 0.6086(8) 0.4228(4) 0.117
    H5C 1 0.3802(4) 0.4619(8) 0.4486(4) 0.117
    C6 1 0.4843(4) 0.2633(8) 0.7000(4) 0.073(2)
    H6A 1 0.4856(4) 0.2238(8) 0.6582(4) 0.109
    H6B 1 0.5080(4) 0.2035(8) 0.7338(4) 0.109
    H6C 1 0.5095(4) 0.3489(8) 0.7036(4) 0.109
    C11 1 0.1453(4) 0.4759(8) 0.6644(4) 0.055(2)
    C12 1 0.1703(5) 0.4810(9) 0.7310(4) 0.078(3)
    H12 1 0.1983(5) 0.4102(9) 0.7523(4) 0.117
    C13 1 0.1531(6) 0.5937(13) 0.7664(5) 0.109(4)
    H13 1 0.1693(6) 0.5963(13) 0.8113(5) 0.163
    C14 1 0.1135(7) 0.6986(12) 0.7363(7) 0.114(4)
    H14 1 0.1022(7) 0.7718(12) 0.7607(7) 0.171
    C15 1 0.0897(5) 0.6976(10) 0.6693(7) 0.105(4)
    H15 1 0.0640(5) 0.7709(10) 0.6481(7) 0.157
    C16 1 0.1053(4) 0.5829(9) 0.6343(5) 0.076(3)
    H16 1 0.0881(4) 0.5796(9) 0.5895(5) 0.115
    C21 1 0.0938(4) 0.2596(8) 0.6136(4) 0.051(2)
    C22 1 0.0803(5) 0.1761(9) 0.6621(4) 0.078(3)
    H22 1 0.1118(5) 0.1785(9) 0.7025(4) 0.116
    C23 1 0.0209(6) 0.0878(11) 0.6527(5) 0.102(3)
    H23 1 0.0131(6) 0.0307(11) 0.6862(5) 0.153
    C24 1 -0.0263(5) 0.0854(11) 0.5937(6) 0.095(3)
    H24 1 -0.0671(5) 0.0282(11) 0.5870(6) 0.143
    C25 1 -0.0130(5) 0.1674(11) 0.5449(5) 0.097(3)
    H25 1 -0.0446(5) 0.1647(11) 0.5046(5) 0.145
    C26 1 0.0470(4) 0.2553(9) 0.5539(4) 0.077(3)
    H26 1 0.0555(4) 0.3105(9) 0.5199(4) 0.116
    C31 1 0.2629(4) 0.7268(7) 0.5063(4) 0.056(2)
    C32 1 0.2742(6) 0.8191(9) 0.4608(5) 0.114(4)
    H32 1 0.2983(6) 0.7926(9) 0.4275(5) 0.170
    C33 1 0.2507(6) 0.9511(11) 0.4633(7) 0.123(4)
    H33 1 0.2599(6) 1.0130(11) 0.4322(7) 0.184
    C34 1 0.2143(6) 0.9922(10) 0.5103(6) 0.092(3)
    H34 1 0.1988(6) 1.0818(10) 0.5116(6) 0.138
    C35 1 0.2006(5) 0.9015(10) 0.5558(4) 0.088(3)
    H35 1 0.1749(5) 0.9280(10) 0.5880(4) 0.132
    C36 1 0.2258(5) 0.7676(9) 0.5535(4) 0.074(3)
    H36 1 0.2171(5) 0.7057(9) 0.5848(4) 0.110
    C41 1 0.2184(5) 0.4802(8) 0.4391(3) 0.056(2)
    C42 1 0.2290(5) 0.3543(9) 0.4110(4) 0.072(3)
    H42 1 0.2742(5) 0.3106(9) 0.4224(4) 0.108
    C43 1 0.1727(6) 0.2935(10) 0.3663(4) 0.088(3)
    H43 1 0.1796(6) 0.2103(10) 0.3473(4) 0.132
    C44 1 0.1065(7) 0.3614(14) 0.3512(4) 0.104(4)
    H44 1 0.0682(7) 0.3219(14) 0.3219(4) 0.156
    C45 1 0.0949(6) 0.4854(12) 0.3779(5) 0.098(3)
    H45 1 0.0499(6) 0.5297(12) 0.3663(5) 0.147
    C46 1 0.1509(5) 0.5419(9) 0.4219(4) 0.074(3)
    H46 1 0.1431(5) 0.6248(9) 0.4407(4) 0.111
    C51 1 0.3566(4) 0.1183(7) 0.7186(4) 0.049(2)
    C52 1 0.3796(4) 0.0089(8) 0.6853(4) 0.060(2)
    H52 1 0.4140(4) 0.0220(8) 0.6586(4) 0.090
    C53 1 0.3513(5) -0.1186(8) 0.6916(4) 0.069(3)
    H53 1 0.3679(5) -0.1916(8) 0.6701(4) 0.103
    C54 1 0.2987(5) -0.1394(9) 0.7296(4) 0.073(3)
    H54 1 0.2789(5) -0.2253(9) 0.7329(4) 0.110
    C55 1 0.2757(5) -0.0304(8) 0.7628(4) 0.070(2)
    H55 1 0.2407(5) -0.0433(8) 0.7889(4) 0.106
    C56 1 0.3044(4) 0.0965(7) 0.7570(4) 0.058(2)
    H56 1 0.2885(4) 0.1689(7) 0.7793(4) 0.087
    C61 1 0.3990(4) 0.3633(7) 0.7889(3) 0.047(2)
    C62 1 0.3799(4) 0.4956(8) 0.7974(4) 0.060(2)
    H62 1 0.3580(4) 0.5469(8) 0.7616(4) 0.090
    C63 1 0.3930(5) 0.5533(9) 0.8591(4) 0.077(3)
    H63 1 0.3799(5) 0.6431(9) 0.8645(4) 0.115
    C64 1 0.4251(5) 0.4785(10) 0.9120(4) 0.076(3)
    H64 1 0.4335(5) 0.5173(10) 0.9534(4) 0.114
    C65 1 0.4446(5) 0.3480(10) 0.9044(4) 0.084(3)
    H65 1 0.4666(5) 0.2972(10) 0.9403(4) 0.126
    C66 1 0.4319(4) 0.2907(8) 0.8431(4) 0.070(2)
    H66 1 0.4457(4) 0.2012(8) 0.8382(4) 0.106