Information card for entry 7013958

Structure parameters

• Common name: [Ce{CH(SiMe3)(SiMe2OMe)}3]
• Formula: C21 H57 Ce O3 Si6
• Calculated formula: C21 H57 Ce O3 Si6
• SMILES: [O]1(C)[Ce]23([C@H]([Si]1(C)C)[Si](C)(C)C)([O](C)[Si]([C@@H]3[Si](C)(C)C)(C)C)[O](C)[Si]([C@@H]2[Si](C)(C)C)(C)C.[O]1(C)[Ce]23([C@@H]([Si]1(C)C)[Si](C)(C)C)([O](C)[Si]([C@H]3[Si](C)(C)C)(C)C)[O](C)[Si]([C@H]2[Si](C)(C)C)(C)C
• Title of publication: Synthetic and structural experiments on yttrium, cerium and magnesium trimethylsilylmethyls and their reaction products with nitriles; with a note on two cerium beta-diketiminates.
• Authors of publication: Avent, Anthony G.; Caro, Catherine F.; Hitchcock, Peter B.; Lappert, Michael F.; Li, Zhengning; Wei, Xue-Hong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1567 - 1577
• a: 15.9563 ± 0.0003 Å
• b: 15.9563 ± 0.0003 Å
• c: 9.6101 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2118.96 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No