Information card for entry 7715655

Structure parameters

• Formula: C76 H90 Li4 N2 Ni2 O6
• Calculated formula: C76 H90 Li4 N2 Ni2 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: 13.7739 ± 0.0001 Å
• b: 19.3181 ± 0.0002 Å
• c: 14.3061 ± 0.0001 Å
• α: 90°
• β: 93.228 ± 0.001°
• γ: 90°
• Cell volume: 3800.61 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0447
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No