Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands
Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J.; ACS Catalysis  (2022) 1905–1918; doi:10.1021/acscatal.1c05586

data_4519287
_publ_section_title
;
 Cobalt-Catalyzed C(sp2)--C(sp3) Suzuki--Miyaura Cross-Coupling Enabled by
 Well-Defined Precatalysts with L,X-Type Ligands
;
_journal_name_full               'ACS Catalysis'
_journal_page_first              1905
_journal_page_last               1918
_journal_paper_doi               10.1021/acscatal.1c05586
_journal_year                    2022
_chemical_formula_sum            'C28 H24 Co N2 O4'
_chemical_formula_weight         511.42
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   geom
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2021-06-19 # Formatted by publCIF

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_cell_measurement_reflns_used    9590
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_cell_measurement_theta_min      2.43
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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^)+(0.0292P)^2^+0.8777P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0719
_refine_ls_wR_factor_ref         0.0751
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5373
_reflns_number_total             5980
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cs1c05586_si_005.cif
_cod_data_source_block           rm10
_cod_depositor_comments
;

2025-09-12
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C56 H48 Co2 N4 O8'
_cod_original_formula_weight         1022.84
_cod_original_formula_units_Z            1
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_shelx_estimated_absorpt_t_min   0.821
_shelx_estimated_absorpt_t_max   0.933
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