Stereospecific and Structure-Dependent Insulin-Mimetic Oxovanadium(IV) Complexes with N,N'-Ethylenebis(amino acids)
Kawabe, Kenji; Tadokoro, Makoto; Ichimura, Akio; Kojima, Yoshitane; Takino, Toshikazu; Sakurai, Hiromu; Journal of the American Chemical Society 121 (1999) 7937–7938; doi:10.1021/ja984225+

data_4116495
_publ_contact_author_address
;
Department of Chemistry, Graduate School of Science, Osaka City Univ., 
3-3-138, Sugimoto, Sumiyoshi-ku, Osaka-city, Osaka 558-8585, Japan
;
_publ_contact_author_email       kojima@sci.osaka-cu.ac.jp
_publ_contact_author_fax         '81-6-6605-3122 or 81-6-6605-2522'
_publ_contact_author_name        'Yoshitane Kojima'
_publ_contact_author_phone       81-6-6605-2549
_publ_section_title
;
 Stereospecific and Structure-Dependent Insulin-Mimetic Oxovanadium(IV)
 Complexes with N,N'-Ethylenebis(amino acids)
;
_journal_coden_ASTM              JACSAT
_journal_issue                   34
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7937
_journal_page_last               7938
_journal_paper_doi               10.1021/ja984225+
_journal_volume                  121
_journal_year                    1999
_chemical_formula_sum            'C8 H17 N2 O6.5 V'
_chemical_formula_weight         296.17
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Thu Jun 10 12:17:43 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 105.48(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.962(3)
_cell_length_b                   11.569(2)
_cell_length_c                   12.316(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      14.7
_cell_volume                     1230.6(5)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.08569
_diffrn_orient_matrix_UB_12      0.01356
_diffrn_orient_matrix_UB_13      0.06974
_diffrn_orient_matrix_UB_21      0.04325
_diffrn_orient_matrix_UB_22      0.06160
_diffrn_orient_matrix_UB_23      -0.03981
_diffrn_orient_matrix_UB_31      -0.06474
_diffrn_orient_matrix_UB_32      0.05910
_diffrn_orient_matrix_UB_33      0.02550
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.014
_diffrn_reflns_av_sigmaI/netI    0.032
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            3976
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         29.99
_diffrn_reflns_theta_min         2.36
_diffrn_standards_decay_%        -0.90
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.829
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.890
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.598
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             616.00
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.27
_refine_ls_extinction_coef       0.028(3)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.525
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     164
_refine_ls_number_reflns         2978
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0000
_refine_ls_R_factor_gt           0.0000
_refine_ls_shift/su_max          0.0900
_refine_ls_shift/su_mean         0.0250
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0000
_refine_ls_wR_factor_ref         0.0515
_reflns_number_gt                0
_reflns_number_total             3761
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja9842252B_1.cif
_cod_data_source_block           complex(2).0.5H2O
_cod_original_cell_volume        1230.6(4)
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'C8 H17 N2 O6.50 V '
_cod_database_code               4116495