Information card for entry 4080713

Structure parameters

• Formula: C25 H39 La O Si2
• Calculated formula: C25 H39 La O Si2
• SMILES: [La]123456789%10%11%12([O]%13CCCC%13)([cH]%13[cH]4[cH]3[cH]2[cH]1%13)([cH]1[c]8([Si](C)(C)C)[cH]7[cH]6[cH]51)[cH]1[cH]9[cH]%10[cH]%11[c]%121[Si](C)(C)C
• Title of publication: Synthetic Aspects of (C5H4SiMe3)3Ln Rare-Earth Chemistry: Formation of (C5H4SiMe3)3Lu via [(C5H4SiMe3)2Ln]+Metallocene Precursors
• Authors of publication: Peterson, Jeffrey K.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2625
• a: 12.7444 ± 0.0007 Å
• b: 13.6852 ± 0.0007 Å
• c: 16.2057 ± 0.0008 Å
• α: 93.4058 ± 0.0006°
• β: 94.5966 ± 0.0006°
• γ: 106.67 ± 0.0006°
• Cell volume: 2688.9 ± 0.2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No