Information card for entry 4310565

Structure parameters

• Common name: [CeBr2{N(SiMe3)2}(thf)3]
• Formula: C18 H42 Br2 Ce N O3 Si2
• Calculated formula: C18 H42 Br2 Ce N O3 Si2
• SMILES: [Ce](Br)(Br)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Oxidation in Nonclassical Organolanthanide Chemistry: Synthesis, Characterization, and X-ray Crystal Structures of Cerium(III) and -(IV) Amides
• Authors of publication: Peter B. Hitchcock; Alexander G. Hulkes; Michael F. Lappert
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1031 - 1038
• a: 14.9421 ± 0.0004 Å
• b: 11.8134 ± 0.0005 Å
• c: 15.8317 ± 0.0007 Å
• α: 90°
• β: 92.185 ± 0.003°
• γ: 90°
• Cell volume: 2792.53 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No