Non-Metal-Catalyzed Heterodehydrocoupling of Phosphines and Hydrosilanes: Mechanistic Studies of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-Mediated Formation of P-Si Bonds.
Wu, Lipeng; Chitnis, Saurabh S.; Jiao, Haijun; Annibale, Vincent T.; Manners, Ian; Journal of the American Chemical Society 139 (2017) 16780–16790; doi:10.1021/jacs.7b09175

data_4131710
_publ_section_title
;
 Non-Metal-Catalyzed Heterodehydrocoupling of Phosphines and Hydrosilanes:
 Mechanistic Studies of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-Mediated
 Formation of P-Si Bonds.
;
_journal_issue                   46
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16780
_journal_page_last               16790
_journal_paper_doi               10.1021/jacs.7b09175
_journal_volume                  139
_journal_year                    2017
_chemical_formula_sum            'C32 H42 P2 Si4'
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_space_group_crystal_system      triclinic
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       '\w and \f scans'
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_diffrn_reflns_av_unetI/netI     0.0275
_diffrn_reflns_Laue_measured_fraction_full 0.993
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_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14463
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_diffrn_reflns_theta_min         1.795
_diffrn_source                   'sealed X-ray tube'
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_exptl_absorpt_correction_T_max  0.7456
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker Apex 2'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.205
_exptl_crystal_description       Plate
_exptl_crystal_F_000             320
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_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.710
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0310P)^2^+1.8369P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1227
_refine_ls_wR_factor_ref         0.1257
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3323
_reflns_number_total             3840
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja7b09175_si_001.cif
_cod_data_source_block           3e
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_database_code               4131710
_shelx_estimated_absorpt_t_min   0.901
_shelx_estimated_absorpt_t_max   0.985
_shelxl_version_number           2013-4
_shelx_res_checksum              87244
_shelx_hkl_checksum              34318