Information card for entry 7715653

Structure parameters

• Formula: C63 H40 D24 Li Ni2 O6 P3
• Calculated formula: C63 H40 D24 Li Ni2 O6 P3
• 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: 11.8167 ± 0.0001 Å
• b: 12.2478 ± 0.0001 Å
• c: 22.2521 ± 0.0001 Å
• α: 93.075 ± 0.001°
• β: 90.738 ± 0.001°
• γ: 111.029 ± 0.001°
• Cell volume: 2999.91 ± 0.04 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0979
• 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