Enhancing electrocatalytic water oxidation: ligand complementarity in ternary Cu(II) complexes.
Das, Pranjal; Kuilya, Hemrupa; Basak, Swati; Hazarika, Baisali; Ray, Joydeep; Sarma, Debajit; Choudhury, Diganta; Kalita, Apurba; Dalton transactions (Cambridge, England : 2003) 54 (2025) 9418–9426; doi:10.1039/d5dt00790a

data_7718706
_publ_section_title
;
 Enhancing electrocatalytic water oxidation: ligand complementarity in
 ternary Cu(II) complexes.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9418
_journal_page_last               9426
_journal_paper_doi               10.1039/d5dt00790a
_journal_volume                  54
_journal_year                    2025
_chemical_absolute_configuration syn
_chemical_compound_source        Synthesized
_chemical_formula_moiety         'C16 H21 Cu N5, 2(Cl O4)'
_chemical_formula_sum            'C16 H21 Cl2 Cu N5 O8'
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_audit_update_record
;
2025-05-13 deposited with the CCDC.	2025-05-15 downloaded from the CCDC.
;
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_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      273(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_exptl_crystal_recrystallization_method 'Slow evaporation in methanol-water'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0316P)^2^+2.0872P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3098
_reflns_number_total             3900
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           Complex2
_cod_depositor_comments
'Adding full bibliography for 7718704--7718711.cif.'
_cod_original_cell_volume        1092.9(6)
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