Bis(8-hydroxyquinolinato)oxopropoxovanadium(V)
Okabe, Nobuo; Muranishi, Yasunori; Odoko, Mamiko; Acta Crystallographica Section E 58 (2002) m77–m79; doi:10.1107/S1600536802002295

data_2200893
_publ_section_title
;
 Bis(8-hydroxyquinolinato)oxopropoxovanadium(V)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m77
_journal_page_last               m79
_journal_paper_doi               10.1107/S1600536802002295
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'C21 H19 N2 O4 V'
_chemical_formula_moiety         'C21 H19 N2 O4 V'
_chemical_formula_sum            'C21 H19 N2 O4 V'
_chemical_formula_weight         414.33
_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                95.76(2)
_cell_angle_beta                 110.97(2)
_cell_angle_gamma                108.63(2)
_cell_formula_units_Z            2
_cell_length_a                   9.639(3)
_cell_length_b                   12.751(3)
_cell_length_c                   9.044(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.7
_cell_volume                     954.2(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software (Molecular Structure Corporation
and Rigaku Corporation, 1999)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation and Rigaku Corporation, 1999)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution
'  SHELXS97 (Sheldrick, 1997) and DIRDIF94 (Beurskens et al., 1994)'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku AFC-5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .7107
_diffrn_reflns_av_R_equivalents  .018
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4645
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        .64
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .549
_exptl_absorpt_correction_T_max  .962
_exptl_absorpt_correction_T_min  .896
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             422.0
_exptl_crystal_size_max          .200
_exptl_crystal_size_mid          .200
_exptl_crystal_size_min          .070
_refine_diff_density_max         .64
_refine_diff_density_min         -.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     253
_refine_ls_number_reflns         4389
_refine_ls_R_factor_gt           .0527
_refine_ls_shift/su_max          -.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1760
_reflns_number_gt                2952
_reflns_number_total             4391
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv6084.cif
_cod_data_source_block           I
_cod_original_cell_volume        954.1(5)
_cod_database_code               2200893