Coordination of BF4-to Oxovanadium(V) Complexes, Evidenced by the Redox Potential of Oxovanadium(IV/V) Couples in CH2Cl2
Kenichi Oyaizu; Eniya Listiani Dewi; Eishun Tsuchida; Inorganic Chemistry 42 (2003) 1070–1075; doi:10.1021/ic0205987

data_4313128
_publ_contact_author
;
Eishun Tsuchida
Advanced Research Institute for Science and Engineering, Waseda 
University, Tokyo 169-8555, JAPAN
;
_publ_contact_author_email       eishun@mn.waseda.ac.jp
_publ_contact_author_fax         +81-3-3205-4740
_publ_contact_author_phone       +81-3-5286-3120
_publ_section_title
;
 Coordination of BF4-to Oxovanadium(V) Complexes, Evidenced by the Redox
 Potential of Oxovanadium(IV/V) Couples in CH2Cl2
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1070
_journal_page_last               1075
_journal_paper_doi               10.1021/ic0205987
_journal_volume                  42
_journal_year                    2003
_chemical_compound_source        'Prepared from H2(salen) and VOSO4'
_chemical_formula_analytical     'C16 H14 B F4 N2 O3 V '
_chemical_formula_moiety         'C16 H14 B F4 N2 O3 V '
_chemical_formula_structural     VO(salen)
_chemical_formula_sum            'C16 H14 B F4 N2 O3 V'
_chemical_formula_weight         420.04
_chemical_name_common
'[N,N'-ethylenebis(salicylideneaminnato)]oxovanadium(V) tetrafluoroborate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             'Thu Sep 26 125949 2002'
_audit_creation_method           'from TEXRAY.INF file'
_audit_update_record             'Thu Sep 26 125949 2002'
_cell_angle_alpha                90
_cell_angle_beta                 91.08
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.449(11)
_cell_length_b                   8.370(3)
_cell_length_c                   26.036(11)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296.4
_cell_volume                     3366(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_molecular_graphics    ORTEP
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      296.3
_diffrn_measurement_device       'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_av_sigmaI/netI    0.000
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3353
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         0.00
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        0.67
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_correction_type   '\y scans(North,Phillips & Mathews,1968)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    'not calcd'
_exptl_crystal_density_meas      ?
_exptl_crystal_description       cubic
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.41
_refine_ls_abs_structure_details None
_refine_ls_abs_structure_Flack   None
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_all   Undetermined
_refine_ls_goodness_of_fit_obs   1.600
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          Undetermined
_refine_ls_R_factor_obs          0.0650
_refine_ls_shift/esd_max         0.0060
_refine_ls_shift/esd_mean        0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00090|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         Undetermined
_refine_ls_wR_factor_obs         0.0450
_reflns_number_observed          2458
_reflns_number_total             3353
_reflns_observed_criterion       >3.0sigma(I)
_cod_data_source_file            ic0205987_1.cif
_cod_data_source_block           '[VO(salen)BF4]'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.00090|Fo|^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(Fo) + 0.00090|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_Hall     undetermined
_cod_original_formula_sum        'C16 H14 B F4 N2 O3 V '
_cod_database_code               4313128