data_2005151
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    'C52'
_journal_page_first     1621
_journal_page_last     1624
_publ_section_title
;
5,5'-(2-Hydroxy-1,3-propandiyldiamino)bis(1-phenyl-1,3-
hexanedionato-O,O')oxo-
vanadium(IV), [VO(C~27~H~28~N~2~O~5~)]
;
_chemical_formula_iupac     '[V O (C27 H28 N2 O5)]'
_chemical_formula_sum     'C27 H28 N2 O6 V1'
_chemical_formula_weight     527.45
_symmetry_cell_setting    'triclinic'
_symmetry_space_group_name_H-M     'P -1'
_cell_length_a     9.360(2)
_cell_length_b     9.845(2)
_cell_length_c     15.216(4)
_cell_angle_alpha     85.18(2)
_cell_angle_beta     77.79(2)
_cell_angle_gamma     63.75(2)
_cell_volume     1229.0(5)
_cell_formula_units_Z     2
_exptl_crystal_density_diffrn     1.425
_cell_measurement_temperature     118.0(10)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
V  .45450(10)
             .71810(10)
                       .80640(10)
                                 .0340(10)
O(1)  .3048(5)  .8696(5)  .7843(3)  .0440(10)
C(1)  .9939(8)  .9102(9)  .7095(4)  .042(2)
C(2)  .8570(7)  .9562(7)  .6590(5)  .048(2)
N(1)  .8080(6)  .8423(6)  .6412(4)  .043(2)
C(3)  .8510(7)  .7603(8)  .5665(4)  .044(2)
C(4)  .7909(8)  .6570(8)  .5603(4)  .045(2)
C(5)  .6784(7)  .6284(7)  .6278(4)  .041(2)
O(2)  .6311(5)  .6993(5)  .7042(3)  .0410(10)
C(6)  .6219(7)  .5219(7)  .6133(4)  .041(2)
C(7)  .5187(7)  .4818(7)  .6774(4)  .037(2)
O(3)  .4473(5)  .5489(5)  .7550(3)  .0390(10)
C(8)  .4843(7)  .3521(7)  .6616(4)  .038(2)
C(9)  .4087(8)  .2962(7)  .7354(4)  .042(2)
C(10)  .3805(8)  .1722(7)  .7260(4)  .044(2)
C(11)  .4285(8)  .0999(7)  .6437(4)  .046(2)
C(12)  .5022(8)  .1542(7)  .5701(4)  .046(2)
C(13)  .5312(8)  .2781(8)  .5793(4)  .047(2)
C(14)  .9645(9)  .7857(9)  .4883(5)  .062(2)
C(15) 1.0036(7)  .7826(8)  .7765(4)  .052(2)
N(2)  .8521(6)  .8128(7)  .8358(4)  .047(2)
C(16)  .8099(7)  .8510(7)  .9235(4)  .041(2)
C(17)  .6812(7)  .8372(7)  .9794(4)  .042(2)
C(18)  .5748(7)  .7870(7)  .9542(4)  .038(2)
O(4)  .5865(5)  .7680(5)  .8687(3)  .0380(10)
C(19)  .4627(7)  .7545(7) 1.0197(4)  .037(2)
C(20)  .3691(7)  .6882(7) 1.0010(4)  .034(2)
O(5)  .3709(5)  .6524(5)  .9207(3)  .0370(10)
C(21)  .2574(7)  .6519(7) 1.0745(4)  .036(2)
C(22)  .1716(7)  .5792(7) 1.0510(4)  .041(2)
C(23)  .0600(8)  .5501(8) 1.1154(4)  .047(2)
C(24)  .0325(8)  .5923(8) 1.2037(5)  .052(2)
C(25)  .1184(8)  .6614(8) 1.2283(4)  .052(2)
C(26)  .2293(8)  .6919(8) 1.1638(4)  .044(2)
C(27)  .9119(8)  .9084(8)  .9591(5)  .052(2)
O(6) 1.1392(7)  .8596(7)  .6448(4)  .047(2)
O(6A) 1.023(2)   1.0052(15)  .7154(12)  .050(7)
C(1A) 1.0187(8)  .8711  .6939(5)  .050
H(1)  .9818(8)  .9960(9)  .7412(4)  .040
H(2A)  .7629(7) 1.0346(7)  .6937(5)  .050
H(2B)  .8830(7)  .9994(7)  .6024(5)  .050
H(1N)  .742(7)    .820(8)    .681(4)    .05(2)
H(4)  .8270(8)  .6023(8)  .5045(4)  .050
H(6)  .6569(7)  .4753(7)  .5548(4)  .050
H(9)  .3779(8)  .3432(7)  .7935(4)  .050
H(10)  .3264(8)  .1362(7)  .7766(4)  .050
H(11)  .4101(8)  .0129(7)  .6376(4)  .050
H(12)  .5341(8)  .1045(7)  .5128(4)  .050
H(13)  .5840(8)  .3133(8)  .5278(4)  .050
H(14A)  .9087(9)  .8848(9)  .4649(5)  .070
H(14B)  .9980(9)  .7124(9)  .4413(5)  .070
H(14C) 1.0590(9)  .7801(9)  .5066(5)  .070
H(15A) 1.0834(7)  .7658(8)  .8119(4)  .050
H(15B) 1.0393(7)  .6916(8)  .7426(4)  .050
H(2N)  .786(7)    .779(7)    .827(4)    .043(19)
H(17)  .6634(7)  .8625(7) 1.0416(4)  .050
H(19)  .4492(7)  .7812(7) 1.0812(4)  .050
H(22)  .1909(7)  .5479(7)  .9898(4)  .050
H(23)  -.004(8)  .5020(8) 1.0991(4)  .050
H(24)  -.0462(8)  .5739(8) 1.2482(5)  .050
H(25)  .1019(8)  .6877(8) 1.2902(4)  .050
H(26)  .2878(8)  .7412(8) 1.1811(4)  .050
H(27A)  .8654(8)  .9384(8) 1.0209(5)  .080
H(27B)  .9159(8)  .9936(8)  .9249(5)  .080
H(27C) 1.0207(8)  .8301(8)  .9547(5)  .080
H(6O) 1.2170(7)  .8498(7)  .6691(4)  .050