Synthesis of a stable stibabismuthene; the first compound with an antimony‒bismuth double bond
Sasamori, Takahiro; Takeda, Nobuhiro; Tokitoh, Norihiro; Chemical Communications  (2000) 1353–; doi:10.1039/b001900n

data_7110919
_publ_section_title
;
 Synthesis of a stable stibabismuthene; the first compound with an
 antimony--bismuth double bond
;
_journal_issue                   15
_journal_name_full               'Chemical Communications'
_journal_page_first              1353
_journal_paper_doi               10.1039/b001900n
_journal_year                    2000
_chemical_formula_moiety         'C30 H67 Bi0.50 Sb0.50 Si7 '
_chemical_formula_sum            'C30 H67 Bi0.5 Sb0.5 Si7'
_chemical_formula_weight         789.82
_chemical_temperature_decomposition 259.5(5)
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.756(3)
_cell_angle_beta                 98.623(4)
_cell_angle_gamma                88.678(8)
_cell_formula_units_Z            2
_cell_length_a                   12.574(2)
_cell_length_b                   18.056(2)
_cell_length_c                   9.318(1)
_cell_measurement_reflns_used    17746
_cell_measurement_temperature    93.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.6
_cell_volume                     2088.9(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR92
_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  0.000
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            13387
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    2.654
_exptl_absorpt_correction_T_max  0.588
_exptl_absorpt_correction_T_min  0.352
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.256
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.61
_refine_diff_density_min         -1.61
_refine_ls_extinction_coef       0.0081
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    ' calcd '
_refine_ls_number_parameters     437
_refine_ls_number_reflns         6718
_refine_ls_R_factor_gt           0.0571
_refine_ls_shift/su_max          -0.0040
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0668P)^2^+9.0660P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1490
_reflns_number_gt                6718
_reflns_number_total             8279
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            b001900nsup1.cif
_cod_data_source_block           BbtSb_BiBbt
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been given
as '259-260(decomp)'. The value was changed to '259.5(5)' - the
average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C30 H67 Bi0.50 Sb0.50 Si7 '
_cod_database_code               7110919