Bismuthanylstibanes.
Marczenko, Katherine M.; Chitnis, Saurabh S.; Chemical communications (Cambridge, England) 56 (2020) 8015–8018; doi:10.1039/d0cc00254b

data_7125895
_publ_section_title
;
 Bismuthanylstibanes.
;
_journal_issue                   58
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              8015
_journal_page_last               8018
_journal_paper_doi               10.1039/d0cc00254b
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C20 H34 Br N O2 '
_chemical_formula_sum            'C20 H34 Br N O2'
_chemical_formula_weight         400.40
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_block_doi                 10.5517/cc11rl4j
_audit_update_record
;
2013-12-09 deposited with the CCDC.	2020-02-03 downloaded from the CCDC.
;
_cell_angle_alpha                85.1193(8)
_cell_angle_beta                 85.3321(8)
_cell_angle_gamma                83.3811(9)
_cell_formula_units_Z            2
_cell_length_a                   4.73398(9)
_cell_length_b                   5.65377(10)
_cell_length_c                   38.3824(7)
_cell_measurement_reflns_used    8896
_cell_measurement_temperature    213.1
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      3.5
_cell_volume                     1014.09(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      213.1
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.088
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            10921
_diffrn_reflns_theta_full        68.24
_diffrn_reflns_theta_max         68.24
_exptl_absorpt_coefficient_mu    2.843
_exptl_absorpt_correction_T_max  0.566
_exptl_absorpt_correction_T_min  0.431
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             424.00
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.58
_refine_diff_density_min         -0.62
_refine_ls_extinction_coef       0.0072(6)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     219
_refine_ls_number_reflns         3638
_refine_ls_R_factor_gt           0.0416
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0345P)^2^+0.4451P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1102
_reflns_number_gt                3237
_reflns_number_total             3638
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            d0cc00254b2.cif
_cod_data_source_block           '_131201_C12COOH-4BrBzAm_Ch'
_cod_depositor_comments
'Adding full bibliography for 7125895--7125899.cif.'
_cod_original_formula_sum        'C20 H34 Br N O2 '
_cod_database_code               7125895