Information card for entry 4077505

Structure parameters

• Formula: C99 H162 Ce2 K O6 Si6
• Calculated formula: C97.344 H150.688 Ce2 K O6 Si6
• Title of publication: Nonclassical Organolanthanoid Metal Chemistry: [K([18]-crown-6)(η2-PhMe)2]X (X = [(LnCpt3)2(μ-H)], [(LnCp‘ ‘2)2(μ-η6:η6-PhMe)]) from [LnCpx3], K, and [18]-crown-6 in Toluene (Ln = La, Ce; Cpt= η5-C5H4SiMe2But; Cp‘ ‘ = η5-C5H3(SiMe3)2-1,3)
• Authors of publication: Gun'ko, Yurii K.; Hitchcock, Peter B.; Lappert, Michael F.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 15
• Pages of publication: 2832
• a: 14.404 ± 0.004 Å
• b: 12.704 ± 0.004 Å
• c: 29.271 ± 0.006 Å
• α: 90°
• β: 92.97 ± 0.02°
• γ: 90°
• Cell volume: 5349 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0712
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections: 0.1153
• Weighted residual factors for significantly intense reflections: 0.1019
• Goodness-of-fit parameter for all reflections: 1.016
• Goodness-of-fit parameter for significantly intense reflections: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No