Information card for entry 7715648

Structure parameters

• Formula: C60 H70 Li2 Ni O6
• Calculated formula: C60 H70 Li2 Ni O6
• 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 (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 8382 - 8390
• a: 13.7527 ± 0.0002 Å
• b: 21.6279 ± 0.0004 Å
• c: 34.0256 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10120.6 ± 0.3 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 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: 0.073
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No