Synthesis and Structure of a Novel Ladder-Type Organobismuth Compound with Bismuth−Oxygen Interactions
Uchiyama, Yosuke; Kano, Naokazu; Kawashima, Takayuki; Organometallics 20 (2001) 2440–; doi:10.1021/om010096l

data_4077294
_publ_section_title
;
 Synthesis and Structure of a Novel Ladder-Type Organobismuth Compound
 with Bismuth&#x2212;Oxygen Interactions
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              2440
_journal_paper_doi               10.1021/om010096l
_journal_volume                  20
_journal_year                    2001
_chemical_formula_moiety         'C26 H24 Bi2 F12 O3 '
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_symmetry_cell_setting           monoclinic
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_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.958(2)
_cell_angle_gamma                90
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_cell_length_a                   26.7910(7)
_cell_length_b                   19.4570(4)
_cell_length_c                   23.8010(6)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    120.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     12219.9(5)
_computing_cell_refinement       Denzo
_computing_data_collection       Xpress
_computing_data_reduction        Denzo
_computing_publication_material  'teXsan for Windows (MSC,1997-1999)'
_computing_structure_refinement  'teXsan for Windows (MSC,1997-1999)'
_computing_structure_solution
;
DIRDIF92 PATTY (Beurskens, 1992)
;
_diffrn_ambient_temperature      120.0
_diffrn_measurement_device       'MAC Science IP'
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_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       'Imaging Plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00000
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_diffrn_reflns_theta_min         2.28
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
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_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
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_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
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_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0583
_refine_ls_shift/su_max          0.0100
_refine_ls_shift/su_mean         0.0003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.1370
_refine_ls_wR_factor_ref         0.0685
_reflns_number_gt                11695
_reflns_number_total             11695
_reflns_threshold_expression     I>-10.00\s(I)
_cod_data_source_file            om010096l.cif
_cod_data_source_block           '_biobi'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c      '
_cod_original_formula_sum        'C26 H24 Bi2 F12 O3 '
_cod_database_code               4077294