Information card for entry 7715652

Structure parameters

• Formula: C37 H50 K2 Ni O7
• Calculated formula: C37 H50 K2 Ni O7
• 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: 26.5914 ± 0.0004 Å
• b: 15.6226 ± 0.0002 Å
• c: 19.9575 ± 0.0003 Å
• α: 90°
• β: 98.408 ± 0.001°
• γ: 90°
• Cell volume: 8201.8 ± 0.2 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No