#------------------------------------------------------------------------------
#$Date: 2008-11-20 20:58:43 +0100 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008980.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_2008980
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 54
_journal_page_first  1451
_journal_page_last  1453
_publ_section_title
;
[N,N'-Bis(5-methoxysalicylidene)-1,2-diphenyl-1,2-ethenediamine]oxovanadium
;
loop_
_publ_author_name
  'Hoshina, Gakuse'
  'Ohba, Shigeru'
  'Tsuchimoto, Masanobu'
_chemical_name_common
;
[N,N'-bis(5-methoxysalicylidene)-1,2-diphenyl-1,2-ethenediamine]oxovanadium
;
_chemical_formula_moiety  'C30 H24 N2 O5 V '
_chemical_formula_sum  'C30 H24 N2 O5 V '
_chemical_formula_iupac  '[V O (C30 H24 N2 O4)]'
_chemical_formula_weight  543.47
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  ?
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x,-y,-z
_cell_length_a  10.375(2)
_cell_length_b  13.300(2)
_cell_length_c  10.3140(10)
_cell_angle_alpha  106.180(10)
_cell_angle_beta  94.400(10)
_cell_angle_gamma  71.860(10)
_cell_volume  1298.7(4)
_cell_formula_units_Z  2
_cell_measurement_temperature  297
_exptl_crystal_density_diffrn  1.390
_diffrn_ambient_temperature  297.2
loop_
_atom_site_label
_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_type_symbol
  V1 0.20919(6) 0.47154(5) 0.08854(6) 0.0332(2) Uani 1.00 V
  O2 0.3431(3) 0.4277(2) 0.1676(3) 0.0482(8) Uani 1.00 O
  O3 0.0560(3) 0.4810(2) 0.1907(3) 0.0491(8) Uani 1.00 O
  O4 0.1543(3) 0.6303(2) 0.1374(2) 0.0416(7) Uani 1.00 O
  O5 -0.1123(4) 0.1542(3) 0.2895(3) 0.0730(10)
  Uani 1.00 O
  O6 0.4088(3) 0.9030(2) 0.0206(3) 0.0566(9) Uani 1.00 O
  N7 0.1770(3) 0.3325(2) -0.0446(3) 0.0352(8) Uani 1.00 N
  N8 0.2817(3) 0.4720(2) -0.0929(3) 0.0315(7) Uani 1.00 N
  C9 0.0248(4) 0.3969(3) 0.2097(4) 0.0413(10) Uani 1.00 C
  C10 -0.0440(4) 0.4112(4) 0.3289(4) 0.0510(10)
  Uani 1.00 C
  C11 -0.0854(5) 0.3298(4) 0.3530(4) 0.0570(10)
  Uani 1.00 C
  C12 -0.0606(4) 0.2280(4) 0.2568(4) 0.0510(10)
  Uani 1.00 C
  C13 -0.1025(5) 0.0546(4) 0.1907(5) 0.068(2) Uani 1.00 C
  C14 0.0073(4) 0.2099(3) 0.1398(4) 0.0470(10)
  Uani 1.00 C
  C15 0.0529(4) 0.2932(3) 0.1152(4) 0.0403(10) Uani 1.00 C
  C16 0.1178(4) 0.2698(3) -0.0122(4) 0.0405(10) Uani 1.00 C
  C17 0.2396(4) 0.3020(3) -0.1729(3) 0.0351(9) Uani 1.00 C
  C18 0.2419(4) 0.1966(3) -0.2741(3) 0.0382(9) Uani 1.00 C
  C19 0.3574(5) 0.1067(3) -0.2936(4) 0.0530(10)
  Uani 1.00 C
  C20 0.3592(6) 0.0097(4) -0.3921(5) 0.069(2) Uani 1.00 C
  C21 0.2479(7) 0.0040(4) -0.4679(4) 0.077(2) Uani 1.00 C
  C22 0.1325(7) 0.0920(5) -0.4498(5) 0.074(2) Uani 1.00 C
  C23 0.1286(5) 0.1893(4) -0.3512(4) 0.0540(10)
  Uani 1.00 C
  C24 0.2974(3) 0.3733(3) -0.1978(3) 0.0323(8) Uani 1.00 C
  C25 0.3737(4) 0.3543(3) -0.3223(3) 0.0337(9) Uani 1.00 C
  C26 0.5079(4) 0.3532(4) -0.3136(4) 0.0490(10)
  Uani 1.00 C
  C27 0.5807(5) 0.3398(5) -0.4276(5) 0.075(2) Uani 1.00 C
  C28 0.5188(7) 0.3287(5) -0.5507(4) 0.078(2) Uani 1.00 C
  C29 0.3882(6) 0.3269(4) -0.5612(4) 0.072(2) Uani 1.00 C
  C30 0.3137(4) 0.3392(3) -0.4496(4) 0.0480(10)
  Uani 1.00 C
  C31 0.3181(4) 0.5522(3) -0.1103(3) 0.0346(9) Uani 1.00 C
  C32 0.2996(3) 0.6566(3) -0.0132(3) 0.0336(9) Uani 1.00 C
  C33 0.3639(4) 0.7271(3) -0.0431(4) 0.0396(10) Uani 1.00 C
  C34 0.3478(4) 0.8300(3) 0.0403(4) 0.0420(10)
  Uani 1.00 C
  C35 0.4969(6) 0.8652(4) -0.0936(5) 0.073(2) Uani 1.00 C
  C36 0.2637(4) 0.8666(3) 0.1534(4) 0.0470(10)
  Uani 1.00 C
  C37 0.1982(4) 0.8006(3) 0.1843(4) 0.0440(10)
  Uani 1.00 C
  C38 0.2162(4) 0.6916(3) 0.1024(3) 0.0353(9) Uani 1.00 C
  H10 -0.0626 0.4800 0.3955 0.0610 Uiso 1.00 H
  H11 -0.1312 0.3425 0.4350 0.0679 Uiso 1.00 H
  H13A -0.1416 0.0110 0.2248 0.0803 Uiso 1.00 H
  H13B -0.0100 0.0156 0.1681 0.0803 Uiso 1.00 H
  H13C -0.1499 0.0694 0.1122 0.0803 Uiso 1.00 H
  H14 0.0238 0.1408 0.0740 0.0564 Uiso 1.00 H
  H16 0.1174 0.2035 -0.0778 0.0482 Uiso 1.00 H
  H19 0.4353 0.1109 -0.2402 0.0639 Uiso 1.00 H
  H20 0.4381 -0.0519 -0.4061 0.0815 Uiso 1.00 H
  H21 0.2499 -0.0623 -0.5342 0.0923 Uiso 1.00 H
  H22 0.0554 0.0871 -0.5045 0.0894 Uiso 1.00 H
  H23 0.0481 0.2502 -0.3370 0.0649 Uiso 1.00 H
  H26 0.5506 0.3622 -0.2281 0.0588 Uiso 1.00 H
  H27 0.6735 0.3379 -0.4204 0.0890 Uiso 1.00 H
  H28 0.5679 0.3220 -0.6284 0.0925 Uiso 1.00 H
  H29 0.3477 0.3170 -0.6477 0.0868 Uiso 1.00 H
  H30 0.2226 0.3372 -0.4590 0.0576 Uiso 1.00 H
  H31 0.3609 0.5410 -0.1947 0.0412 Uiso 1.00 H
  H33 0.4194 0.7024 -0.1218 0.0476 Uiso 1.00 H
  H35A 0.5677 0.8014 -0.0856 0.0892 Uiso 1.00 H
  H35B 0.4464 0.8460 -0.1729 0.0892 Uiso 1.00 H
  H35C 0.5332 0.9205 -0.0982 0.0892 Uiso 1.00 H
  H36 0.2514 0.9385 0.2108 0.0565 Uiso 1.00 H
  H37 0.1402 0.8283 0.2613 0.0525 Uiso 1.00 H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  V1 0.0404(3) 0.0322(3) 0.0267(3) -0.0130(2) 0.0033(2) 0.0041(2)
  O2 0.051(2) 0.055(2) 0.0370(10)
  -0.0140(10)
  -0.0050(10)
  0.0120(10)
  O3 0.056(2) 0.0430(10)
  0.0480(10)
  -0.0160(10)
  0.0230(10)
  0.0040(10)
  O4 0.049(2) 0.0330(10)
  0.0410(10)
  -0.0130(10)
  0.0110(10)
  0.0020(10)
  O5 0.101(3) 0.081(2) 0.058(2) -0.047(2) 0.017(2) 0.025(2)
  O6 0.078(2) 0.0410(10)
  0.055(2) -0.0340(10)
  0.0160(10)
  -0.0040(10)
  N7 0.037(2) 0.038(2) 0.0320(10)
  -0.0160(10)
  0.0030(10)
  0.0060(10)
  N8 0.037(2) 0.0310(10)
  0.0260(10)
  -0.0120(10)
  0.0000(10)
  0.0030(10)
  C9 0.038(2) 0.049(2) 0.038(2) -0.014(2) 0.001(2) 0.012(2)
  C10 0.054(2) 0.057(2) 0.042(2) -0.018(2) 0.009(2) 0.010(2)
  C11 0.058(3) 0.076(3) 0.044(2) -0.023(2) 0.012(2) 0.023(2)
  C12 0.059(3) 0.061(3) 0.045(2) -0.025(2) 0.001(2) 0.023(2)
  C13 0.075(3) 0.064(3) 0.082(3) -0.030(3) 0.004(3) 0.036(3)
  C14 0.054(2) 0.053(2) 0.042(2) -0.023(2) -0.001(2) 0.015(2)
  C15 0.041(2) 0.049(2) 0.036(2) -0.019(2) -0.002(2) 0.015(2)
  C16 0.047(2) 0.042(2) 0.035(2) -0.019(2) 0.001(2) 0.007(2)
  C17 0.038(2) 0.037(2) 0.029(2) -0.014(2) 0.0000(10)
  0.0040(10)
  C18 0.054(2) 0.038(2) 0.027(2) -0.024(2) 0.005(2) 0.0030(10)
  C19 0.064(3) 0.046(2) 0.048(2) -0.022(2) 0.007(2) 0.002(2)
  C20 0.098(4) 0.042(2) 0.059(3) -0.020(2) 0.025(3) -0.004(2)
  C21 0.144(5) 0.063(3) 0.036(2) -0.062(4) 0.012(3) -0.007(2)
  C22 0.110(4) 0.086(4) 0.048(3) -0.068(4) -0.021(3) 0.014(3)
  C23 0.070(3) 0.058(3) 0.045(2) -0.038(2) -0.012(2) 0.011(2)
  C24 0.040(2) 0.031(2) 0.0240(10)
  -0.0130(10)
  0.0000(10)
  0.0020(10)
  C25 0.046(2) 0.032(2) 0.025(2) -0.014(2) 0.0010(10)
  0.0060(10)
  C26 0.051(2) 0.062(3) 0.037(2) -0.023(2) 0.002(2) 0.009(2)
  C27 0.072(3) 0.098(4) 0.063(3) -0.042(3) 0.025(3) 0.008(3)
  C28 0.119(5) 0.086(4) 0.037(2) -0.046(3) 0.032(3) 0.004(2)
  C29 0.107(4) 0.082(3) 0.029(2) -0.037(3) 0.002(2) 0.010(2)
  C30 0.058(2) 0.052(2) 0.036(2) -0.022(2) -0.005(2) 0.008(2)
  C31 0.040(2) 0.036(2) 0.028(2) -0.015(2) 0.0030(10)
  0.0040(10)
  C32 0.036(2) 0.033(2) 0.032(2) -0.0130(10)
  -0.0010(10)
  0.0070(10)
  C33 0.045(2) 0.037(2) 0.038(2) -0.016(2) 0.004(2) 0.0050(10)
  C34 0.048(2) 0.033(2) 0.046(2) -0.018(2) -0.003(2) 0.007(2)
  C35 0.101(4) 0.050(3) 0.079(3) -0.043(3) 0.027(3) 0.003(2)
  C36 0.059(2) 0.034(2) 0.045(2) -0.017(2) 0.000(2) 0.001(2)
  C37 0.050(2) 0.037(2) 0.040(2) -0.012(2) 0.008(2) -0.001(2)
  C38 0.035(2) 0.033(2) 0.036(2) -0.0110(10)
  -0.0030(10)
  0.0070(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  V1 O2 1_555 1_555 1.588(3) yes
  V1 O3 1_555 1_555 1.926(3) yes
  V1 O4 1_555 1_555 1.934(2) yes
  V1 N7 1_555 1_555 2.078(3) yes
  V1 N8 1_555 1_555 2.072(3) yes
  O3 C9 1_555 1_555 1.324(4) no
  O4 C38 1_555 1_555 1.316(4) no
  O5 C12 1_555 1_555 1.380(5) no
  O5 C13 1_555 1_555 1.408(6) no
  O6 C34 1_555 1_555 1.377(4) no
  O6 C35 1_555 1_555 1.423(5) no
  N7 C16 1_555 1_555 1.299(4) yes
  N7 C17 1_555 1_555 1.416(4) yes
  N8 C24 1_555 1_555 1.422(4) yes
  N8 C31 1_555 1_555 1.297(4) yes
  C9 C10 1_555 1_555 1.406(5) no
  C9 C15 1_555 1_555 1.408(5) no
  C10 C11 1_555 1_555 1.368(6) no
  C10 H10 1_555 1_555 0.953 no
  C11 C12 1_555 1_555 1.399(6) no
  C11 H11 1_555 1_555 0.950 no
  C12 C14 1_555 1_555 1.369(5) no
  C13 H13A 1_555 1_555 0.952 no
  C13 H13B 1_555 1_555 0.950 no
  C13 H13C 1_555 1_555 0.951 no
  C14 C15 1_555 1_555 1.419(5) no
  C14 H14 1_555 1_555 0.952 no
  C15 C16 1_555 1_555 1.434(5) no
  C16 H16 1_555 1_555 0.951 no
  C17 C18 1_555 1_555 1.491(4) no
  C17 C24 1_555 1_555 1.356(5) yes
  C18 C19 1_555 1_555 1.384(6) no
  C18 C23 1_555 1_555 1.381(6) no
  C19 C20 1_555 1_555 1.397(6) no
  C19 H19 1_555 1_555 0.951 no
  C20 C21 1_555 1_555 1.355(8) no
  C20 H20 1_555 1_555 0.947 no
  C21 C22 1_555 1_555 1.370(8) no
  C21 H21 1_555 1_555 0.949 no
  C22 C23 1_555 1_555 1.396(6) no
  C22 H22 1_555 1_555 0.951 no
  C23 H23 1_555 1_555 0.952 no
  C24 C25 1_555 1_555 1.480(4) no
  C25 C26 1_555 1_555 1.384(5) no
  C25 C30 1_555 1_555 1.398(5) no
  C26 C27 1_555 1_555 1.385(6) no
  C26 H26 1_555 1_555 0.951 no
  C27 C28 1_555 1_555 1.370(8) no
  C27 H27 1_555 1_555 0.953 no
  C28 C29 1_555 1_555 1.358(8) no
  C28 H28 1_555 1_555 0.951 no
  C29 C30 1_555 1_555 1.379(6) no
  C29 H29 1_555 1_555 0.949 no
  C30 H30 1_555 1_555 0.951 no
  C31 C32 1_555 1_555 1.434(4) no
  C31 H31 1_555 1_555 0.961 no
  C32 C33 1_555 1_555 1.415(5) no
  C32 C38 1_555 1_555 1.409(5) no
  C33 C34 1_555 1_555 1.365(5) no
  C33 H33 1_555 1_555 0.951 no
  C34 C36 1_555 1_555 1.391(6) no
  C35 H35A 1_555 1_555 0.953 no
  C35 H35B 1_555 1_555 0.953 no
  C35 H35C 1_555 1_555 0.938 no
  C36 C37 1_555 1_555 1.376(5) no
  C36 H36 1_555 1_555 0.949 no
  C37 C38 1_555 1_555 1.422(5) no
  C37 H37 1_555 1_555 0.949 no