#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005527.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_2005527
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	2582
_journal_page_last    	2583
_publ_section_title    	
;
2,2',5,5'-Tetrachlorobiphenyl (PCB 52)
;
_journal_volume    	C52
_journal_page_first    	2448
_journal_page_last    	2450
_publ_section_title    	
;
A Divanadium(III) Complex Bridged by Cl^-^ and OH^-^ Anions
;
_chemical_formula_iupac    	'[V2 Cl5 (OH) (C4 H8 O1)4], C4 H8 O1'
_chemical_formula_moiety    	'C16 H33 Cl5 O5 V2 , C4 H8 O1'
_chemical_formula_sum    	'C20 H41 Cl5 O6 V2'
_chemical_formula_weight    	656.69
_symmetry_cell_setting    	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
    '   +x,   +y,   +z'
    '1/2-x,1/2+y,1/2-z'
    '   -x,   -y,   -z'
    '1/2+x,1/2-y,1/2+z'
_symmetry_space_group_name_H-M    	'P 21/n'
_cell_length_a    	9.324(3)
_cell_length_b    	16.590(5)
_cell_length_c    	18.978(2)
_cell_angle_alpha    	90
_cell_angle_beta    	90.39(2)
_cell_angle_gamma    	90
_cell_volume    	2935(1)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.486
_cell_measurement_temperature    	293
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
    V(1) 0.7854(1) 0.24306(6) 0.82994(5) 0.0423(3)
    V(2) 0.6287(1) 0.22320(6) 0.67559(5) 0.0440(3)
    Cl(1) 0.6069(2) 0.14700(9) 0.78315(8) 0.0503(5)
    Cl(2) 0.7809(2) 0.17968(10) 0.93964(8) 0.0644(6)
    Cl(3) 0.9574(2) 0.33978(9) 0.85943(9) 0.0627(6)
    Cl(4) 0.4282(2) 0.29865(9) 0.70743(8) 0.0601(6)
    Cl(5) 0.8105(2) 0.13984(10) 0.63103(9) 0.0630(6)
    O(1) 0.7636(4) 0.2827(2) 0.7324(2) 0.039(1)
    O(2) 0.6274(4) 0.3183(2) 0.8615(2) 0.050(1)
    O(3) 0.9435(4) 0.1664(2) 0.8002(2) 0.049(1)
    O(4) 0.4880(4) 0.1482(2) 0.6201(2) 0.058(2)
    O(5) 0.6491(4) 0.2977(2) 0.5867(2) 0.055(1)
    O(6) 0.4533(5) 0.1305(3) 0.1599(3) 0.087(2)
    C(1) 0.6206(7) 0.4037(4) 0.8458(3) 0.062(2)
    C(2) 0.4952(9) 0.4344(5) 0.8819(5) 0.118(4)
    C(3) 0.4201(8) 0.3694(5) 0.9112(5) 0.105(4)
    C(4) 0.4977(7) 0.2951(4) 0.8967(4) 0.070(3)
    C(5) 0.9384(7) 0.0793(3) 0.8052(3) 0.062(2)
    C(6) 1.0871(8) 0.0519(4) 0.7985(4) 0.076(3)
    C(7) 1.1553(7) 0.1139(5) 0.7538(4) 0.091(3)
    C(8) 1.0764(7) 0.1884(4) 0.7659(3) 0.065(2)
    C(9) 0.4920(8) 0.0619(4) 0.6208(4) 0.083(3)
    C(10) 0.3686(9) 0.0345(5) 0.5830(5) 0.115(4)
    C(11) 0.2999(9) 0.1032(6) 0.5475(4) 0.101(4)
    C(12) 0.3749(9) 0.1728(4) 0.5738(4) 0.102(3)
    C(13) 0.6098(8) 0.3814(4) 0.5837(4) 0.091(3)
    C(14) 0.6602(10) 0.4126(5) 0.5169(5) 0.106(4)
    C(15) 0.7004(9) 0.3446(6) 0.4734(4) 0.115(4)
    C(16) 0.7031(8) 0.2745(4) 0.5191(4) 0.084(3)
    C(17) 0.478(1) 0.0513(5) 0.1813(5) 0.138(4)
    C(18) 0.5543(10) 0.0129(5) 0.1271(5) 0.122(4)
    C(19) 0.6218(9) 0.0772(5) 0.0875(5) 0.117(4)
    C(20) 0.5622(8) 0.1516(4) 0.1152(4) 0.078(3)
    H(1) 0.830(5) 0.321(3) 0.714(3) 0.07(2)
    H(2) 0.7065 0.4326 0.8621 0.0759
    H(3) 0.6139 0.4150 0.7956 0.0759
    H(4) 0.4317 0.4640 0.8497 0.1348
    H(5) 0.5211 0.4734 0.9184 0.1348
    H(6) 0.3230 0.3674 0.8935 0.1235
    H(7) 0.4114 0.3772 0.9625 0.1235
    H(8) 0.4394 0.2591 0.8674 0.0852
    H(9) 0.5179 0.2649 0.9396 0.0852
    H(10) 0.8785 0.0555 0.7679 0.0751
    H(11) 0.8959 0.0611 0.8491 0.0751
    H(12) 1.0947 -0.0016 0.7781 0.0898
    H(13) 1.1344 0.0491 0.8441 0.0898
    H(14) 1.1486 0.0974 0.7045 0.1048
    H(15) 1.2556 0.1190 0.7645 0.1048
    H(16) 1.1328 0.2253 0.7944 0.0813
    H(17) 1.0580 0.2168 0.7216 0.0813
    H(18) 0.5768 0.0407 0.5989 0.1049
    H(19) 0.4908 0.0408 0.6686 0.0987
    H(20) 0.2989 0.0092 0.6154 0.1336
    H(21) 0.3919 -0.0078 0.5495 0.1336
    H(22) 0.2005 0.1050 0.5575 0.1236
    H(23) 0.3117 0.0973 0.4975 0.1236
    H(24) 0.3082 0.2089 0.5976 0.1177
    H(25) 0.4126 0.2048 0.5344 0.1177
    H(26) 0.5062 0.3887 0.5873 0.1011
    H(27) 0.6509 0.4116 0.6228 0.1011
    H(28) 0.5896 0.4460 0.4932 0.1229
    H(29) 0.7450 0.4461 0.5229 0.1229
    H(30) 0.6240 0.3360 0.4359 0.1293
    H(31) 0.7863 0.3512 0.4486 0.1293
    H(32) 0.6449 0.2295 0.4991 0.0751
    H(33) 0.7992 0.2532 0.5220 0.0987
    H(34) 0.3885 0.0224 0.1909 0.1515
    H(35) 0.5337 0.0476 0.2247 0.1515
    H(36) 0.4888 -0.0174 0.0944 0.1247
    H(37) 0.6229 -0.0274 0.1424 0.1247
    H(38) 0.6088 0.0714 0.0370 0.1316
    H(39) 0.7272 0.0744 0.0948 0.1316
    H(40) 0.5284 0.1846 0.0757 0.0918
    H(41) 0.6370 0.1829 0.1380 0.0918