Information card for entry 7013960

Structure parameters

• Common name: [Ce{CH(SiMe3)2}3(NCPh)]
• Formula: C28 H62 Ce N Si6
• Calculated formula: C28 H62 Ce N Si6
• SMILES: [Ce]([N]#Cc1ccccc1)(C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](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: 12.1618 ± 0.0004 Å
• b: 12.802 ± 0.0004 Å
• c: 27.1173 ± 0.0009 Å
• α: 79.606 ± 0.002°
• β: 84.609 ± 0.002°
• γ: 80.598 ± 0.002°
• Cell volume: 4087.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0818
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No