(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2-bromo-4-chloro-6-{[2-(dimethylamino)ethylimino]methyl}phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)oxidovanadium(IV)
Wang, Fu-Ming; Acta Crystallographica Section E 67 (2011) m650–; doi:10.1107/S1600536811015406

data_2230014
_publ_section_title
;
 (Acetylacetonato-\k^2^<i>O</i>,<i>O</i>')(2-bromo-4-chloro-6-{[2-(dimethylamino)ethylimino]methyl}phenolato-\k^3^<i>N</i>,<i>N</i>',<i>O</i>)oxidovanadium(IV)
;
_journal_coeditor_code           HB5858
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m650
_journal_paper_doi               10.1107/S1600536811015406
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[V (C11 H13 Br Cl N2 O) (C5 H7 O2) O]'
_chemical_formula_moiety         'C16 H20 Br Cl N2 O4 V'
_chemical_formula_sum            'C16 H20 Br Cl N2 O4 V'
_chemical_formula_weight         470.64
_chemical_name_systematic
;
(Acetylacetonato-\k^2^<i>O</i>,<i>O</i>')(2-bromo-4-chloro-6-{[2-
(dimethylamino)ethylimino]methyl}phenolato-
\k^3^<i>N</i>,<i>N</i>',<i>O</i>)oxidovanadium(IV)
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.351(2)
_cell_length_b                   12.7490(10)
_cell_length_c                   7.410(2)
_cell_measurement_reflns_used    1129
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.5
_cell_measurement_theta_min      2.5
_cell_volume                     1922.6(6)
_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 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            7060
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
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_exptl_absorpt_coefficient_mu    2.755
_exptl_absorpt_correction_T_max  0.473
_exptl_absorpt_correction_T_min  0.429
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             948
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.323
_refine_diff_density_min         -0.393
_refine_ls_abs_structure_details 'Flack (1983), 1475 Friedel pairs'
_refine_ls_abs_structure_Flack   0.028(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.930
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     230
_refine_ls_number_reflns         3863
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.930
_refine_ls_R_factor_all          0.0988
_refine_ls_R_factor_gt           0.0469
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'calc w=1/[\s^2^(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0822
_refine_ls_wR_factor_ref         0.0999
_reflns_number_gt                2284
_reflns_number_total             3863
_reflns_threshold_expression     I>2\s(I)
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_cod_data_source_block           I
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_cod_database_fobs_code          2230014