Biomimetic O-demethylation at a copper(ii) center with imine ligand: a structural and computational study
Nowicka, Daria; Garbaczewski, Karol; Consiglio, Giuseppe; Forte, Giuseppe; Kubicki, Maciej; Łuczak, Teresa; Patroniak, Violetta; Gorczyński, Adam; New Journal of Chemistry 50 (2026) 3843–3856; doi:10.1039/D5NJ04478B

data_7064245
_publ_section_title
;
 Biomimetic O-demethylation at a copper(ii) center with imine ligand: a
 structural and computational study
;
_journal_issue                   9
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3843
_journal_page_last               3856
_journal_paper_doi               10.1039/D5NJ04478B
_journal_volume                  50
_journal_year                    2026
_chemical_formula_moiety         'C16 H16 Cl2 Cu N4 O'
_chemical_formula_sum            'C16 H16 Cl2 Cu N4 O'
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2024-07-12 deposited with the CCDC.	2026-01-30 downloaded from the CCDC.
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;
CrysAlisPro 1.171.42.56a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0950P)^2^+40.0000P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 7064242--7064248.cif.'
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