Information card for entry 7712098

Structure parameters

• Formula: C62 H78 Na4 Ni2 O6
• Calculated formula: C62 H78 Na4 Ni2 O6
• 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: 20.9102 ± 0.0002 Å
• b: 17.5645 ± 0.0001 Å
• c: 16.2357 ± 0.0001 Å
• α: 90°
• β: 90.281 ± 0.001°
• γ: 90°
• Cell volume: 5962.93 ± 0.08 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.2093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No