Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes
Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal; Chemical Science 13 (2022) 8567–8575; doi:10.1039/D2SC00907B

data_1567164
_publ_section_title
;
 Cooperative B--H bond activation: dual site borane activation by redox
 active \k2-N,S-chelated complexes
;
_journal_issue                   29
_journal_name_full               'Chemical Science'
_journal_page_first              8567
_journal_page_last               8575
_journal_paper_doi               10.1039/D2SC00907B
_journal_volume                  13
_journal_year                    2022
_chemical_formula_moiety         'C39 H45 N3 P Ru S6, C H2 Cl2'
_chemical_formula_sum            'C40 H47 Cl2 N3 P Ru S6'
_chemical_formula_weight         965.10
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_space_group_name_Hall           '-C 2yc'
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_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-10-27 deposited with the CCDC.	2022-06-23 downloaded from the CCDC.
;
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'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
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_diffrn_measurement_method       '\w and \f scan'
_diffrn_radiation_monochromator  graphite
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
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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^)+(0.0500P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             7512
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2sc00907b2.cif
_cod_data_source_block           RUP2
_cod_depositor_comments
'Adding full bibliography for 1567161--1567164.cif.'
_cod_original_cell_volume        8533.5(19)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1567164
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.882
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