[<i>N</i>,<i>N</i>'-Bis(3-carboxysalicylidene)-1,2-diphenyl-(<i>RR</i>,<i>SS</i>)-1,2-ethanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-<i>O</i>)oxovanadium(IV) and [<i>N</i>,<i>N</i>'-bis(3-carboxysalicylidene)-2,3-dimethyl-2,3-butanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']oxovanadium(IV) monohydrate
Uemura, Ryushi; Tsuchimoto, Masanobu; Ohba, Shigeru; Acta Crystallographica Section C 56 (2000) e199–e200; doi:10.1107/S0108270100005679

data_2010952
_publ_section_title
;[<i>N</i>,<i>N</i>'-Bis(3-carboxysalicylidene)-1,2-diphenyl-(<i>RR</i>,<i>SS</i>)-1,2-ethanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-<i>O</i>)oxovanadium(IV)
 and
 [<i>N</i>,<i>N</i>'-bis(3-carboxysalicylidene)-2,3-dimethyl-2,3-butanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']oxovanadium(IV)
 monohydrate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e199
_journal_page_last               e200
_journal_paper_doi               10.1107/S0108270100005679
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[V1 O1 (C30 H22 N2 O6) (C1 H3 O1 H1)]'
_chemical_formula_moiety         'C31 H26 N2 O8 V '
_chemical_formula_sum            'C31 H26 N2 O8 V'
_chemical_formula_weight         605.50
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.270(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.681(2)
_cell_length_b                   18.474(2)
_cell_length_c                   15.786(2)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    298.0(10)
_cell_measurement_theta_max      14.8
_cell_measurement_theta_min      12.8
_cell_volume                     2811.3(7)
_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, 1999)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .014
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8471
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .408
_exptl_absorpt_correction_T_max  .960
_exptl_absorpt_correction_T_min  .901
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          .4
_exptl_crystal_size_mid          .3
_exptl_crystal_size_min          .1
_refine_diff_density_max         .50
_refine_diff_density_min         -.44
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.309
_refine_ls_hydrogen_treatment    'H atoms: see text'
_refine_ls_number_parameters     397
_refine_ls_number_reflns         8202
_refine_ls_R_factor_gt           .056
_refine_ls_shift/su_max          .001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05P)^2^ + 1P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .167
_reflns_number_gt                4703
_reflns_number_total             8202
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            qa0271.cif
_cod_data_source_block           I
_cod_original_cell_volume        2811.1(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C31 H26 N2 O8 V '
_cod_database_code               2010952
_cod_database_fobs_code          2010952