Facile proton-coupled electron transfer enabled by coordination-induced E-H bond weakening to boron.
Wong, Anthony; Chakraborty, Arunavo; Bawari, Deependra; Wu, Guang; Dobrovetsky, Roman; Ménard, Gabriel; Chemical communications (Cambridge, England) 57 (2021) 6903–6906; doi:10.1039/d1cc02832d

data_7128530
_publ_section_title
;
 Facile proton-coupled electron transfer enabled by coordination-induced
 E-H bond weakening to boron.
;
_journal_issue                   56
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6903
_journal_page_last               6906
_journal_paper_doi               10.1039/d1cc02832d
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C62 H33 B Co F25 N6 V'
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_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-05-28 deposited with the CCDC.	2021-06-15 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Bruker Apex II'
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_diffrn_reflns_point_group_measured_fraction_full 0.995
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_exptl_absorpt_correction_T_max  0.7451
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.590
_exptl_crystal_description       block
_exptl_crystal_F_000             5816
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_exptl_crystal_size_min          0.2
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0985P)^2^+55.1217P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1584
_refine_ls_wR_factor_ref         0.1854
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7308
_reflns_number_total             10341
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc02832d2.cif
_cod_data_source_block           aw072820_new_0m
_cod_depositor_comments
'Adding full bibliography for 7128526--7128532.cif.'
_cod_original_cell_volume        12178(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7128530
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