Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.
Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo; Chemical science 16 (2025) 5142–5154; doi:10.1039/d4sc08449g

data_1573883
_publ_section_title
;
 Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.
;
_journal_issue                   12
_journal_name_full               'Chemical science'
_journal_page_first              5142
_journal_page_last               5154
_journal_paper_doi               10.1039/d4sc08449g
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety         'C14 H18 N2 S2'
_chemical_formula_sum            'C14 H18 N2 S2'
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;
2024-12-12 deposited with the CCDC.	2025-02-10 downloaded from the CCDC.
;
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;
CrysAlisPro 1.171.41.92a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
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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^)+(0.0353P)^2^+1.4552P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0943
_refine_ls_wR_factor_ref         0.0950
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_reflns_number_total             2991
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           Compound_1e
_cod_depositor_comments
'Adding full bibliography for 1573879--1573889.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1573883
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.490
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_shelx_res_checksum              22589