Information card for entry 7719894

Structure parameters

• Formula: C27 H30.43 N3 Ni O2.71
• Calculated formula: C27 H30.42 N3 Ni O2.71
• 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: 17.993 ± 0.004 Å
• b: 8.1705 ± 0.0016 Å
• c: 32.71 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4808.8 ± 1.8 ų
• Cell temperature: 216 K
• Ambient diffraction temperature: 216 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1438
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.229
• Weighted residual factors for all reflections included in the refinement: 0.2532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No