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_4115752
_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         'C20 H15 As Cl3 N O '
_chemical_formula_sum            'C20 H15 As Cl3 N O'
_chemical_formula_weight         466.63
_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                 95.312(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4395(4)
_cell_length_b                   19.098(1)
_cell_length_c                   10.8085(6)
_cell_measurement_reflns_used    12489
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.4
_cell_volume                     1940.14(17)
_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 0.9977
_diffrn_measured_fraction_theta_max 0.9977
_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  0.042
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            18746
_diffrn_reflns_theta_full        27.43
_diffrn_reflns_theta_max         27.43
_exptl_absorpt_coefficient_mu    2.174
_exptl_absorpt_correction_T_max  0.647
_exptl_absorpt_correction_T_min  0.548
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_description       block
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.62
_refine_diff_density_min         -0.54
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     235
_refine_ls_number_reflns         4420
_refine_ls_R_factor_gt           0.0255
_refine_ls_shift/su_max          0.0004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.02600(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0541
_reflns_number_gt                3520
_reflns_number_total             4420
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja003623l_4.cif
_cod_data_source_block           Ph3As_NCOCCl3
_cod_original_cell_volume        1940.1(2)
_cod_original_formula_sum        'C20 H15 As Cl3 N O '
_cod_database_code               4115752