Electrocatalytic hydrogen production by dinuclear cobalt(II) compounds containing redox-active diamidate ligands: a combined experimental and theoretical study.
Papanikolaou, Michael G.; Elliott, Alexander; McAllister, James; Gallos, John K.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.; Sproules, Stephen; Miras, Haralampos N.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 15718–15730; doi:10.1039/d0dt02617d

data_7706252
_publ_section_title
;
 Electrocatalytic hydrogen production by dinuclear cobalt(II) compounds
 containing redox-active diamidate ligands: a combined experimental and
 theoretical study.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15718
_journal_page_last               15730
_journal_paper_doi               10.1039/d0dt02617d
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C127.5 H120 Cl7 Co4 F12 N20 O11 Sb2'
_chemical_formula_weight         3063.80
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2020-10-23 deposited with the CCDC.	2020-10-27 downloaded from the CCDC.
;
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_cell_measurement_temperature    100(2)
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.847
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -30
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_diffrn_reflns_theta_min         3.294
_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            brown
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_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0446P)^2^+67.3637P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                22241
_reflns_number_total             29918
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02617d2.cif
_cod_data_source_block           Compound_4
_cod_original_formula_sum        'C127.50 H120 Cl7 Co4 F12 N20 O11 Sb2'
_cod_database_code               7706252
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              96929