Information card for entry 7715643

Structure parameters

• Formula: C30 H28 K2 Ni O
• Calculated formula: C30 H28 K2 Ni O
• 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: 12.46834 ± 0.00019 Å
• b: 9.88563 ± 0.00016 Å
• c: 20.5241 ± 0.0003 Å
• α: 90°
• β: 93.8253 ± 0.0014°
• γ: 90°
• Cell volume: 2524.11 ± 0.07 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No