A mononuclear cobalt complex for water oxidation: new controversies and puzzles.
Safdari, Rasoul; Mohammadi, Mohammad Reza; Hołyńska, Małgorzata; Chernev, Petko; Dau, Holger; Najafpour, Mohammad Mahdi; Dalton transactions (Cambridge, England : 2003) 47 (2018) 16668–16673; doi:10.1039/c8dt03147a

data_7047779
_publ_section_title
;
 A mononuclear cobalt complex for water oxidation: new controversies and
 puzzles.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16668
_journal_page_last               16673
_journal_paper_doi               10.1039/c8dt03147a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C22 H18 Co N4 O4, Cl O4, 2(H2 O)'
_chemical_formula_sum            'C22 H22 Cl Co N4 O10'
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2018-04-22 deposited with the CCDC.
2018-10-16 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Quest D8 CMOS'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_max       11
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_exptl_absorpt_coefficient_mu    0.897
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_description       block
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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^)+(0.0419P)^2^+0.8283P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0739
_refine_ls_wR_factor_ref         0.0755
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6562
_reflns_number_total             7036
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt03147a2.cif
_cod_data_source_block           mmn1_0m
_cod_depositor_comments          'Adding full bibliography for 7047779.cif.'
_cod_database_code               7047779
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.598
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_shelx_res_checksum              67061