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_4115749
_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_sum            'C29 H33 Cl3 N O Sb'
_chemical_formula_weight         639.69
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 92.144(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.6407(7)
_cell_length_b                   13.1648(6)
_cell_length_c                   26.062(1)
_cell_measurement_reflns_used    25990
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.4
_cell_volume                     5705.4(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 5.00
_diffrn_measured_fraction_theta_full 0.9939
_diffrn_measured_fraction_theta_max 0.9939
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.105
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            52765
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    1.269
_exptl_absorpt_correction_T_max  0.881
_exptl_absorpt_correction_T_min  0.881
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.95
_refine_diff_density_min         -1.82
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.947
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     631
_refine_ls_number_reflns         13003
_refine_ls_R_factor_gt           0.0488
_refine_ls_shift/su_max          0.0009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1372
_reflns_number_gt                6640
_reflns_number_total             13003
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja003623l_1.cif
_cod_data_source_block           Mes3Sb_NCOCCl3
_cod_original_cell_volume        5705.5(4)
_cod_original_formula_sum        'C58 H66 Cl6 N2 O2 Sb2 '
_cod_database_code               4115749