#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005310.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_2005310
_journal_name_full 'Acta Crystallographica Section C'
_journal_year       1996
_journal_volume 52
_journal_page_first             1943
_journal_page_last              1945
_publ_section_title
;
A Mixed-Valence Tetranuclear Vanadium(IV,V) Complex,
[V~4~O~4~(\m-OEt)~2~(\m-O)~2~(OEt)~4~(phen)~2~]
;
_chemical_formula_iupac        '[V4 O6 (C2 H5 O)6 (C12 H8 N2)2]'
_chemical_formula_moiety        'C36 H46 N4 O12 V4'
_chemical_formula_sum          'C36 H46 N4 O12 V4'
_chemical_formula_weight        465.27
_symmetry_cell_setting          triclinic
loop_
_symmetry_equiv_pos_as_xyz
        '   +x,   +y,   +z'
        '   -x,   -y,   -z'
_symmetry_space_group_name_H-M  'P -1'
_cell_length_a                  8.971(1)
_cell_length_b                  15.511(2)
_cell_length_c                  8.329(1)
_cell_angle_alpha               102.85(1)
_cell_angle_beta                111.46(1)
_cell_angle_gamma               73.67(1)
_cell_volume                    1025.7(3)
_cell_formula_units_Z           1
_exptl_crystal_density_diffrn   1.51
_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)            .0415(1)        -.09957(5)      .0388(1)        .0459(2)
V(2)            .0846(1)        -0.32199(6)     -0.1568(1)      .0623(3)
O(1)            -.0824(4)       -0.1042(2)      .1315(4)        .060(1)
O(2)            .0837(4)        .0231(2)        .1458(4)        .0470(9)
O(3)            .0250(4)        -0.2091(2)      -0.1322(4)      .062(1)
O(4)            .1572(5)        -0.3586(2)      .0280(5)        .083(1)
O(5)            .2436(6)        -0.3550(3)      -0.2492(6)      .114(2)
O(6)            -.0855(5)       -0.3716(2)      -0.2862(5)      .089(1)
N(1)            .2837(4)        -0.1169(2)      -.0216(5)       .050(1)
N(2)            .2402(5)        -0.1764(2)      .2298(5)        .052(1)
C(1)            .3045(6)        -.0876(3)       -0.1470(7)      .060(2)
C(2)            .4537(7)        -0.1071(4)      -0.1772(7)      .066(2)
C(3)            .5878(6)        -0.1586(4)      -.0715(8)       .068(2)
C(4)            .5730(6)        -0.1905(3)      .0631(7)        .060(2)
C(5)            .7062(6)        -0.2448(4)      .1815(8)        .075(2)
C(6)            .6840(7)        -0.2732(4)      .3093(8)        .078(2)
C(7)            .5272(7)        -0.2524(3)      .3322(7)        .062(2)
C(8)            .4940(8)        -0.2814(4)      .4592(7)        .076(2)
C(9)            .3405(9)        -0.2602(4)      .4692(7)        .076(2)
C(10)           .2149(7)        -0.2075(3)      .3509(7)        .064(2)
C(11)           .3939(6)        -0.1993(3)      .2185(6)        .051(1)
C(12)           .4178(6)        -0.1680(3)      .0843(6)        .051(1)
C(13)           .210(1)         .0474(4)        .306(1)         .095(3)
C(14)           .160(1)         .0537(5)        .444(1)         .127(3)
C(15)           .430(1)         -0.4036(6)      -0.165(1)       .141(4)
C(16)           .429(1)         -0.4808(7)      -0.266(1)       .177(5)
C(17)           -0.1352(8)      -0.4433(5)      -0.246(1)       .105(3)
C(18)           -.034(1)        -0.5301(5)      -0.278(1)       .120(3)
H(1)            .2098           -0.0496         -0.2217         .0712
H(2)            .4624           -0.0841         -0.2728         .0783
H(3)            .6939           -0.1731         -0.0933         .0801
H(4)            .8163           -0.2611         .1682           .0907
H(5)            .7792           -0.3084         .3896           .0901
H(6)            .5826           -0.3178         .5441           .0897
H(7)            .3192           -0.2818         .5594           .0911
H(8)            .1013           -0.1926         .3571           .0803
H(9)            .3136           .0027           .321            .1021
H(10)           .2349           .1046           .3058           .1021
H(11)           .2387           .0703           .5545           .1374
H(12)           .0594           .1001           .4348           .1374
H(13)           .1371           -0.0019         .4493           .1374
H(14)           .5106           -0.3703         -0.1617         .1572
H(15)           .46             -0.4118         -0.0415         .1572
H(16)           .3594           -0.5115         -0.2645         .1865
H(17)           .4086           -0.4698         -0.3855         .1865
H(18)           .5434           -0.521          -0.2382         .1865
H(19)           -0.126          -0.4317         -0.1265         .1247
H(20)           -0.2443         -0.4439         -0.316          .1247
H(21)           -0.0697         -0.5745         -0.2489         .1411
H(22)           -0.0414         -0.5421         -0.3966         .1411
H(23)           .0771           -0.5299         -0.2073         .1411