Information card for entry 7715646

Structure parameters

• Formula: C42 H52 Li2 Ni O4
• Calculated formula: C42 H52 Li2 Ni O4
• Title of publication: The coordination of alkali-metal nickelates to organic π-systems: Synthetic, structural and spectroscopic insights
• Authors of publication: Borys, Andryj M.; Vedani, Luca; Hevia, Eva
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 16.7487 ± 0.0002 Å
• b: 12.4289 ± 0.0002 Å
• c: 18.2015 ± 0.0003 Å
• α: 90°
• β: 101.534 ± 0.001°
• γ: 90°
• Cell volume: 3712.45 ± 0.1 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No