Synthesis and Structural Comparison of Triaryl(sulfonylimino)pnictoranes
Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki; Inorganic Chemistry 41 (2002) 1940–1948; doi:10.1021/ic0110575

data_4317804
_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_section_title
;
 Synthesis and Structural Comparison of Triaryl(sulfonylimino)pnictoranes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1940
_journal_page_last               1948
_journal_paper_doi               10.1021/ic0110575
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         'C22 H21 Bi F3 N O5 S '
_chemical_formula_sum            'C22 H21 Bi F3 N O5 S'
_chemical_formula_weight         677.45
_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                 94.63(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.403(2)
_cell_length_b                   17.981(2)
_cell_length_c                   11.777(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294.2
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      14.5
_cell_volume                     2406.8(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_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_measured_fraction_theta_full 1.0324
_diffrn_measured_fraction_theta_max 1.0324
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5764
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_decay_%        9.27
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.455
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.712
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.869
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.58
_refine_diff_density_min         -3.10
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.901
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     298
_refine_ls_number_reflns         5701
_refine_ls_R_factor_gt           0.0476
_refine_ls_shift/su_max          0.0377
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.10900(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1499
_reflns_number_gt                3774
_reflns_number_total             5701
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0110575_7.cif
_cod_data_source_block           o-Ans3BiNSO2CF3
_cod_original_cell_volume        2406.8(5)
_cod_original_formula_sum        'C22 H21 Bi F3 N O5 S '
_cod_database_code               4317804