data_2005009
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	1375
_journal_page_last    	1377
_publ_section_title    	
;
mer-[2'-(2-Benzoyl-1-methylethylidene)-1-naphthohydrazido(2-)](methanol)-
cis-dioxo-molybdenum(VI)
;
_chemical_formula_iupac    	'[Mo O2 (C21 H16 N2 O2) O2 (C H4 O)]'
_chemical_formula_sum    	'C22 H20 Mo N2 O5'
_chemical_formula_structural    	'(Mo (C21 H16 N2 O2) O2 (C H3 O H))'
_chemical_formula_weight    	488.36
_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    	7.418(1)
_cell_length_b    	10.814(2)
_cell_length_c    	14.039(2)
_cell_angle_alpha    	105.40(1)
_cell_angle_beta    	90.26(1)
_cell_angle_gamma    	109.97(1)
_cell_volume    	1014.9(3)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.60
_exptl_crystal_density_meas    	1.59
_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
Mo 1 0.27174(4) 0.81685(3) 0.83250(2) 0.0313(1)
O1 1 0.4042(3) 1.0076(2) 0.8302(2) 0.036(1)
O2 1 0.2841(3) 0.6385(2) 0.8222(2) 0.041(1)
O3 1 0.5786(3) 0.8796(2) 0.9265(2) 0.049(1)
O4 1 0.2017(3) 0.8630(2) 0.9488(2) 0.045(1)
O5 1 0.0746(4) 0.7726(3) 0.7524(2) 0.052(1)
N1 1 0.5795(4) 0.9422(2) 0.7051(2) 0.035(1)
N2 1 0.4762(4) 0.8135(2) 0.7195(2) 0.032(1)
C1 1 0.6090(4) 1.1819(3) 0.7666(2) 0.033(1)
C2 1 0.6052(5) 1.2753(3) 0.8537(3) 0.040(1)
C3 1 0.6797(5) 1.4172(3) 0.8650(3) 0.046(1)
C4 1 0.7558(5) 1.4638(3) 0.7877(3) 0.045(1)
C5 1 0.7597(4) 1.3724(3) 0.6964(2) 0.037(1)
C6 1 0.8347(5) 1.4220(3) 0.6154(3) 0.049(1)
C7 1 0.8368(6) 1.3353(4) 0.5263(3) 0.055(1)
C8 1 0.7622(6) 1.1926(4) 0.5121(3) 0.053(1)
C9 1 0.6892(5) 1.1405(3) 0.5889(2) 0.043(1)
C10 1 0.6866(4) 1.2278(3) 0.6833(2) 0.033(1)
C11 1 0.5288(4) 1.0349(3) 0.7638(2) 0.032(1)
C12 1 0.6596(5) 0.7286(3) 0.5909(3) 0.050(1)
C13 1 0.5167(5) 0.7109(3) 0.6658(2) 0.034(1)
C14 1 0.4256(5) 0.5757(3) 0.6769(2) 0.037(1)
C15 1 0.3156(4) 0.5434(3) 0.7494(2) 0.033(1)
C16 1 0.2308(4) 0.4032(3) 0.7605(2) 0.035(1)
C17 1 0.1519(5) 0.3848(3) 0.8480(3) 0.043(1)
C18 1 0.0723(5) 0.2536(3) 0.8594(3) 0.055(1)
C19 1 0.0697(5) 0.1422(3) 0.7847(3) 0.061(1)
C20 1 0.1435(6) 0.1585(4) 0.6979(4) 0.061(1)
C21 1 0.2246(5) 0.2882(3) 0.6852(3) 0.049(1)
C22 1 0.7167(6) 0.8171(4) 0.9210(4) 0.066(1)
H2 ? 0.551 1.243 0.908 ?
H3 ? 0.677 1.480 0.926 ?
H4 ? 0.807 1.560 0.795 ?
H6 ? 0.885 1.518 0.624 ?
H7 ? 0.889 1.371 0.473 ?
H8 ? 0.762 1.132 0.449 ?
H9 ? 0.639 1.044 0.578 ?
H14 ? 0.444 0.502 0.629 ?
H17 ? 0.153 0.462 0.900 ?
H18 ? 0.020 0.241 0.919 ?
H19 ? 0.016 0.053 0.793 ?
H20 ? 0.139 0.080 0.646 ?
H21 ? 0.276 0.299 0.625 ?
H121 ? 0.627 0.774 0.548 ?
H122 ? 0.658 0.641 0.553 ?
H123 ? 0.785 0.782 0.624 ?
H221 ? 0.659 0.723 0.917 ?
H222 ? 0.806 0.864 0.979 ?
H223 ? 0.781 0.827 0.864 ?
H03 ? 0.624 0.972 0.959 ?