Ni-Catalyzed Carboxylation of C(sp2)‒S Bonds with CO2: Evidence for the Multifaceted Role of Zn
Yanagi, Tomoyuki; Somerville, Rosie J.; Nogi, Keisuke; Martin, Ruben; Yorimitsu, Hideki; ACS Catalysis  (2020) 2117–2123; doi:10.1021/acscatal.9b05141

data_4517326
_publ_section_title
;
 Ni-Catalyzed Carboxylation of C(sp2)--S Bonds with CO2: Evidence for the
 Multifaceted Role of Zn
;
_journal_name_full               'ACS Catalysis'
_journal_page_first              2117
_journal_page_last               2123
_journal_paper_doi               10.1021/acscatal.9b05141
_journal_year                    2020
_chemical_formula_sum            'C16 H18 Br2 N2 Ni O S'
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_computing_molecular_graphics
'shelXle (H&#x00FC;bschle, Sheldrick and Dittirch, 2011)'
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;
 Fullsphere data collection, phi and omega scans
;
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2014/4
_exptl_crystal_colour            yellow
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_exptl_crystal_description       block
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0243P)^2^+0.1139P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             6981
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           mo_RJS843_0m
_cod_depositor_comments
'Adding full bibliography for 4517326--4517327.cif.'
_cod_database_code               4517326
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.396
_shelx_estimated_absorpt_t_max   0.848
_shelx_res_checksum              79647
_shelx_hkl_checksum              97980