Information card for entry 7013964

Structure parameters

• Common name: [Ce{N(SiMe3)2}2{Me3SiNC(C6H4tBu)CHC(C6H4tBu)NSiMe3}]
• Formula: C41 H81 Ce N4 Si6
• Calculated formula: C41 H81 Ce N4 Si6
• SMILES: [Ce]1(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[N]([Si](C)(C)C)=C(C=C(N1[Si](C)(C)C)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)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: 12.6286 ± 0.0006 Å
• b: 18.6283 ± 0.0011 Å
• c: 22.8848 ± 0.0011 Å
• α: 90°
• β: 93.537 ± 0.003°
• γ: 90°
• Cell volume: 5373.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0876
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No