Information card for entry 7712096

Structure parameters

• Formula: C58 H77 Li4 Ni2 O4
• Calculated formula: C58 H77 Li4 Ni2 O4
• Title of publication: Diphenylacetylene stabilised alkali-metal nickelates: synthesis, structure and catalytic applications.
• Authors of publication: Borys, Andryj M.; Hevia, Eva
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 2098 - 2105
• a: 12.37091 ± 0.00007 Å
• b: 19.444 ± 0.0001 Å
• c: 23.57916 ± 0.00013 Å
• α: 90°
• β: 101.868 ± 0.0005°
• γ: 90°
• Cell volume: 5550.49 ± 0.05 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: 0.0441
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No