Structural Characterization of a Boron(III) η<sup>2</sup>-σ-Silane-Complex.
Liu, Yizhen; Su, Bo; Dong, Weishi; Li, Zhen Hua; Wang, Huadong; Journal of the American Chemical Society 141 (2019) 8358–8363; doi:10.1021/jacs.9b03213

data_4127250
_publ_section_title
;
 Structural Characterization of a Boron(III)
 \h<sup>2</sup>-\s-Silane-Complex.
;
_journal_issue                   20
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8358
_journal_page_last               8363
_journal_paper_doi               10.1021/jacs.9b03213
_journal_volume                  141
_journal_year                    2019
_chemical_formula_sum            'C40.67 H22.33 B12 F20 N4'
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_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_diffrn_ambient_temperature      296(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_point_group_measured_fraction_full 0.908
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_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_description       Block
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_exptl_crystal_size_mid          0.38
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_refine_ls_abs_structure_details
; 
 Refined as an inversion twin. 
;
_refine_ls_abs_structure_Flack   0.0(8)
_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      0.932
_refine_ls_R_factor_all          0.1082
_refine_ls_R_factor_gt           0.0623
_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1168P)^2^+0.7762P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1549
_refine_ls_wR_factor_ref         0.1840
_reflns_Friedel_coverage         0.781
_reflns_Friedel_fraction_full    0.814
_reflns_Friedel_fraction_max     0.808
_reflns_number_gt                10896
_reflns_number_total             16965
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja9b03213_si_004.cif
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 4127250--4127252.cif.
;
_cod_database_code               4127250
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              20025
_shelx_hkl_checksum              4708