Information card for entry 4324168

Structure parameters

• Formula: C24 H39 Ce Si3
• Calculated formula: C24 H39 Ce Si3
• SMILES: [Ce]123456789%10%11%12([c]%13([Si](C)(C)C)[cH]1[cH]2[cH]3[cH]4%13)([c]1([Si](C)(C)C)[cH]5[cH]6[cH]7[cH]81)[c]1([cH]%12[cH]%11[cH]%10[cH]91)[Si](C)(C)C
• Title of publication: Covalent Lanthanide Chemistry Near the Limit of Weak Bonding: Observation of (CpSiMe3)3Ce-ECp* and a Comprehensive Density Functional Theory Analysis of Cp3Ln-ECp (E = Al, Ga)
• Authors of publication: Jamin L. Krinsky; Stefan G. Minasian; John Arnold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 345 - 357
• a: 8.378 ± 0.0005 Å
• b: 22.2086 ± 0.0015 Å
• c: 29.1454 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5422.9 ± 0.6 ų
• Cell temperature: 453 ± 2 K
• Ambient diffraction temperature: 453 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No