Information card for entry 7719895

Structure parameters

• Formula: C60.75 H104.1 Cl3.5 Cu N5 O3.3
• Calculated formula: C59 H100 Cu N5 O3
• Title of publication: Defining the oxidation site in Cu(II) and Ni(II) Complexes of ligands combining amido, phenolato and pyridine donors
• Authors of publication: Wang, Guanqi; Philouze, Christian; Berthiol, Florian; Moreau, Yohann; Jarjayes, Olivier; Thomas, Fabrice
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• a: 13.536 ± 0.003 Å
• b: 15.206 ± 0.003 Å
• c: 16.497 ± 0.003 Å
• α: 102.46 ± 0.03°
• β: 97.36 ± 0.03°
• γ: 93.73 ± 0.03°
• Cell volume: 3273.2 ± 1.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No