Synthesis and structures of bismuth(III) complexes involving thio- and seleno-ether ligands
Barton, Andrew J.; Genge, Anthony R. J.; Levason, William; Reid, Gillian; Journal of the Chemical Society, Dalton Transactions  (2000) 859–; doi:10.1039/a909803h

data_7009294
_publ_section_title
;
 Synthesis and structures of bismuth(III) complexes involving thio- and
 seleno-ether ligands
;
_journal_issue                   6
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              859
_journal_paper_doi               10.1039/a909803h
_journal_year                    2000
_chemical_formula_moiety         'C14 H14 Bi2 Br6 S2 '
_chemical_formula_structural     '[Bi2Br6{PhS(CH2)2SPh}]'
_chemical_formula_sum            'C14 H14 Bi2 Br6 S2'
_chemical_formula_weight         1143.77
_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'
_audit_creation_date             19100-01-10
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_audit_update_record
;
?
;
_cell_angle_alpha                90
_cell_angle_beta                 93.94(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.267(3)
_cell_length_b                   6.981(2)
_cell_length_c                   18.340(5)
_cell_measurement_reflns_used    18
_cell_measurement_temperature    150.1
_cell_measurement_theta_max      8.9
_cell_measurement_theta_min      7.0
_cell_volume                     1183.7(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan (MSC, 1992-1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
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_computing_structure_solution
;
SHELXS86 (Sheldrick, 1985)
;
_diffrn_ambient_temperature      150.1
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_diffrn_orient_matrix_UB_32      -0.11155
_diffrn_orient_matrix_UB_33      -0.01790
_diffrn_radiation_detector       'scintillation counter'
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_diffrn_reflns_av_R_equivalents  0.09317
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_diffrn_reflns_limit_l_min       -21
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_diffrn_standards_decay_%        0.63
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;
DIFABS (Walker & Stuart, 1983)
;
_exptl_crystal_colour            yellow
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_exptl_crystal_density_meas      ?
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_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_refine_diff_density_max         3.11
_refine_diff_density_min         -1.72
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.940
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
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_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.0110
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00002|Fo|^2^]'
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_reflns_number_gt                1212
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_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            a909803h.txt
_cod_data_source_block           bibr3ph_[BiBr3{PhS(CH2)2SPh}]
_cod_original_cell_volume        1183.6(5)
_cod_original_sg_symbol_H-M      'P 21/c     '
_cod_original_formula_sum        'C14 H14 Bi2 Br6 S2 '
_cod_database_code               7009294