Information card for entry 7715147

Structure parameters

• Formula: C164.9 H125.79 K8 O8
• Calculated formula: C164.898 H125.796 K8 O8
• Title of publication: Lithium, sodium and potassium enolate aggregates and monomers: syntheses and structures.
• Authors of publication: Davison, Nathan; Hemingway, Jack M.; Waddell, Paul G.; Lu, Erli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4719 - 4728
• a: 20.2465 ± 0.0004 Å
• b: 24.7118 ± 0.0004 Å
• c: 28.626 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14322.4 ± 0.4 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No