(4-Chlorobenzohydrazidato-κ^2^<i>N</i>',<i>O</i>)[2-(4-chlorobenzoylhydrazinylidene-κ^2^<i>N</i>^1^,<i>O</i>)-3-phenylpropionato(2{-})-κ<i>O</i>^1^]oxidovanadium(V) methanol monosolvate
Wong, Hon Wee; Lo, Kong Mun; Ng, Seik Weng; Acta Crystallographica Section E 66 (2010) m1558–; doi:10.1107/S1600536810045678

data_2228380
_publ_section_title
;
 (4-Chlorobenzohydrazidato-\k^2^<i>N</i>',<i>O</i>)[2-(4-chlorobenzoylhydrazinylidene-\k^2^<i>N</i>^1^,<i>O</i>)-3-phenylpropionato(2{-})-\k<i>O</i>^1^]oxidovanadium(V)
 methanol monosolvate
;
_journal_coeditor_code           HG2740
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1558
_journal_paper_doi               10.1107/S1600536810045678
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'[V (C7 H6 Cl N2 O) (C16 H11 Cl N2 O3) O], C H4 O'
_chemical_formula_moiety         'C23 H17 Cl2 N4 O5 V, C H4 O'
_chemical_formula_sum            'C24 H21 Cl2 N4 O6 V'
_chemical_formula_weight         583.29
_chemical_name_systematic
;
(4-Chlorobenzohydrazidato-\k^2^<i>N</i>',<i>O</i>)[2-(4-
chlorobenzoylhydrazinylidene-\k^2^<i>N</i>^1^,<i>O</i>)-
3-phenylpropionato(2-)-\k<i>O</i>^1^]oxidovanadium(V) methanol monosolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.4045(7)
_cell_angle_beta                 98.8890(7)
_cell_angle_gamma                111.6936(7)
_cell_formula_units_Z            2
_cell_length_a                   8.3217(4)
_cell_length_b                   11.2505(6)
_cell_length_c                   15.5064(8)
_cell_measurement_reflns_used    8039
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      2.6
_cell_volume                     1206.93(11)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0214
_diffrn_reflns_av_sigmaI/netI    0.0256
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15037
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.682
_exptl_absorpt_correction_T_max  0.9349
_exptl_absorpt_correction_T_min  0.8214
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             596
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.536
_refine_diff_density_min         -0.852
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         5517
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0375
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0658P)^2^+1.2158P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1098
_refine_ls_wR_factor_ref         0.1161
_reflns_number_gt                4907
_reflns_number_total             5517
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2740.cif
_cod_data_source_block           I
_cod_database_code               2228380
_cod_database_fobs_code          2228380