[<i>N</i>,<i>N</i>'-Bis(5-methoxysalicylidene)-1,2-diphenyl-1,2-ethenediamine]oxovanadium(IV)
Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu; Acta Crystallographica Section C 55 (1999) 1451–1453; doi:10.1107/S0108270199006551

data_2008980
_publ_section_title
'[<i>N</i>,<i>N</i>'-Bis(5-methoxysalicylidene)-1,2-diphenyl-1,2-ethenediamine]oxovanadium(IV)'
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1451
_journal_page_last               1453
_journal_paper_doi               10.1107/S0108270199006551
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[V O (C30 H24 N2 O4)]'
_chemical_formula_moiety         'C30 H24 N2 O5 V '
_chemical_formula_sum            'C30 H24 N2 O5 V'
_chemical_formula_weight         543.47
_chemical_name_common
'[N,N'-bis(5-methoxysalicylidene)-1,2-diphenyl-1,2-ethenediamine]oxovanadium'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.180(10)
_cell_angle_beta                 94.400(10)
_cell_angle_gamma                71.860(10)
_cell_formula_units_Z            2
_cell_length_a                   10.375(2)
_cell_length_b                   13.300(2)
_cell_length_c                   10.3140(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    297
_cell_measurement_theta_max      14.7
_cell_measurement_theta_min      14.2
_cell_volume                     1298.8(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1993)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1998)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      297.2
_diffrn_measurement_device_type  'Rigaku AFC-5R'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_av_sigmaI/netI    0.088
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6308
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.425
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.967
_exptl_absorpt_correction_type   \y-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             562
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.23
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.10
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     343
_refine_ls_number_reflns         3956
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.053
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.0019|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.071
_reflns_number_gt                3759
_reflns_number_total             5976
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ta1233.cif
_cod_data_source_block           I
_cod_original_cell_volume        1298.7(4)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C30 H24 N2 O5 V '
_cod_database_code               2008980