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_7706907
_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_moiety         'C16 H16 Co N3 O5'
_chemical_formula_sum            'C16 H16 Co N3 O5'
_chemical_formula_weight         389.25
_chemical_name_systematic
(N,N'-Ethylene-bis(salicylideneiminato))-nitro-cobalt(iii)-aqua
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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_audit_update_record
;
2020-11-20 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, AtlasS2'
_diffrn_measurement_method       '\w scans'
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_diffrn_reflns_av_R_equivalents  0.0754
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_diffrn_reflns_number            33718
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_diffrn_reflns_theta_min         3.946
_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_correction_T_min  0.658
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_exptl_absorpt_process_details
;
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            brown
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_description       block
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.077
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_exptl_crystal_size_min          0.027
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_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         3241
_refine_ls_number_restraints     488
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0749
_refine_ls_R_factor_gt           0.0701
_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^)+(0.1196P)^2^+0.6059P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1842
_refine_ls_wR_factor_ref         0.1923
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2887
_reflns_number_total             3241
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt00563d2.cif
_cod_data_source_block           mads_a_CCDC5
_cod_depositor_comments
'Adding full bibliography for 7706901--7706909.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7706907
_shelx_shelxl_version_number     2018/1
_shelx_res_checksum              58279