Synthesis, Structure, and Reactions of (Acylimino)triaryl-λ5-bismuthanes: First Comparative Study of the (Acylimino)pnictorane Series
Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki; Motoo Shiro; Haruyuki Nakano; Journal of the American Chemical Society 123 (2001) 10954–10965; doi:10.1021/ja003623l

data_4115751
_publ_contact_author_email       ' matano@kuchem.kyoto-u.ac.jp '
_publ_contact_author_fax         ' +81-75-753-4000 '
_publ_contact_author_name        ' Yoshihiro Matano'
_publ_contact_author_phone       ' +81-75-753-4045 '
_publ_section_title
;
 Synthesis, Structure, and Reactions of
 (Acylimino)triaryl-\l5-bismuthanes: First Comparative Study of the
 (Acylimino)pnictorane Series
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10954
_journal_page_last               10965
_journal_paper_doi               10.1021/ja003623l
_journal_volume                  123
_journal_year                    2001
_chemical_formula_moiety         'C23 H21 Bi Cl3 N O4 '
_chemical_formula_sum            'C23 H21 Bi Cl3 N O4'
_chemical_formula_weight         690.76
_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'
_cell_angle_alpha                90
_cell_angle_beta                 96.10(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.776(2)
_cell_length_b                   17.577(4)
_cell_length_c                   15.875(4)
_cell_measurement_temperature    143.2
_cell_volume                     2434.9(10)
_computing_cell_refinement
'R-AXIS IV Data Processing Software (Rigaku, 1996)'
_computing_data_collection
'R-AXIS IV Data Processing Software (Rigaku, 1996)'
_computing_data_reduction        'teXsan (MSC & Rigaku, 1998)'
_computing_molecular_graphics    'ORTEP (Johnson, 1976)'
_computing_publication_material  'teXsan (MSC & Rigaku, 1998)'
_computing_structure_refinement  'teXsan (MSC & Rigaku, 1998)'
_computing_structure_solution    'SIR92 (Altomare, 1994)'
_diffrn_detector_area_resol_mean 0.010000
_diffrn_measured_fraction_theta_full 0.8466
_diffrn_measured_fraction_theta_max 0.8466
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       \f
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            4861
_diffrn_reflns_theta_full        27.58
_diffrn_reflns_theta_max         27.58
_exptl_absorpt_coefficient_mu    7.586
_exptl_absorpt_correction_T_max  0.685
_exptl_absorpt_correction_T_min  0.497
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.884
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.92
_refine_diff_density_min         -1.19
_refine_ls_extinction_coef       0.0028(2)
_refine_ls_extinction_method     'type 2, isotropic (Zachariasen, 1967)'
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     290
_refine_ls_number_reflns         4342
_refine_ls_R_factor_gt           0.0251
_refine_ls_shift/su_max          0.0018
_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_ref         0.0342
_reflns_number_gt                4342
_reflns_number_total             4786
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja003623l_3.cif
_cod_data_source_block           '_Ans3Bi_NCOCCl3'
_cod_original_formula_sum        'C23 H21 Bi Cl3 N O4 '
_cod_database_code               4115751