Preparation of organocobalt(iii) complexes via O<sub>2</sub> activation.
Møller, Mads Sondrup; Kongsted, Jacob; McKenzie, Christine J.; Dalton transactions (Cambridge, England : 2003) 50 (2021) 4819–4829; doi:10.1039/d1dt00563d

data_7706909
_publ_section_title
;
 Preparation of organocobalt(iii) complexes via O<sub>2</sub> activation.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4819
_journal_page_last               4829
_journal_paper_doi               10.1039/d1dt00563d
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C19 H21 Co N2 O4'
_chemical_formula_weight         400.31
_chemical_name_systematic
(N,N'-Ethylene-bis(salicylideneiminato))-acetonyl-cobalt(iii)-aqua
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;
2020-11-20 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
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_diffrn_source                   'micro-focus sealed X-ray tube'
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;
CrysAlisPro 1.171.40.21a (Rigaku Oxford Diffraction, 2018)
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            'dark green'
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_exptl_crystal_description       needle
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_refine_ls_extinction_coef       0.0030(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_parameters     245
_refine_ls_number_reflns         2522
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.1840
_refine_ls_R_factor_gt           0.0993
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1592P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2502
_refine_ls_wR_factor_ref         0.3481
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1094
_reflns_number_total             2522
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7706901--7706909.cif.'
_cod_original_cell_volume        883.35(13)
_cod_database_code               7706909
_shelx_shelxl_version_number     2018/1
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