[<i>N</i>'-(3,5-Diiodo-2-oxidobenzylidene-κ<i>O</i>)-4-methylbenzohydrazidato-κ^2^<i>N</i>',<i>O</i>](methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxidovanadium(V)
Liu, Lin; Acta Crystallographica Section E 67 (2011) m482–; doi:10.1107/S1600536811010385

data_2229612
_publ_section_title
;
 [<i>N</i>'-(3,5-Diiodo-2-oxidobenzylidene-\k<i>O</i>)-4-methylbenzohydrazidato-\k^2^<i>N</i>',<i>O</i>](methanol-\k<i>O</i>)(methanolato-\k<i>O</i>)oxidovanadium(V)
;
_journal_coeditor_code           CV5063
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m482
_journal_paper_doi               10.1107/S1600536811010385
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[V (C15 H10 I2 N2 O2) (C H3 O) O (C H4 O)]'
_chemical_formula_moiety         'C17 H17 I2 N2 O5 V'
_chemical_formula_sum            'C17 H17 I2 N2 O5 V'
_chemical_formula_weight         634.07
_chemical_name_systematic
;
[<i>N</i>'-(3,5-Diiodo-2-oxidobenzylidene-\k<i>O</i>)-4-methylbenzohydrazidato-
\k^2^<i>N</i>',<i>O</i>](methanol-\k<i>O</i>)(methanolato-
\k<i>O</i>)oxidovanadium(V)
;
_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                81.857(5)
_cell_angle_beta                 84.777(6)
_cell_angle_gamma                85.286(5)
_cell_formula_units_Z            2
_cell_length_a                   7.890(5)
_cell_length_b                   10.030(6)
_cell_length_c                   13.628(8)
_cell_measurement_reflns_used    2583
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.7
_cell_volume                     1060.5(11)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0255
_diffrn_reflns_av_sigmaI/netI    0.0442
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7706
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    3.407
_exptl_absorpt_correction_T_max  0.6853
_exptl_absorpt_correction_T_min  0.5951
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.986
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             604
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.000
_refine_diff_density_min         -1.013
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     250
_refine_ls_number_reflns         4283
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0611
_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max_lt       0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.03P)^2^+1.6979P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0809
_refine_ls_wR_factor_ref         0.0899
_reflns_number_gt                3146
_reflns_number_total             4283
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv5063.cif
_cod_data_source_block           I
_cod_database_code               2229612
_cod_database_fobs_code          2229612