Information card for entry 4310564

Structure parameters

• Common name: [CeBr3(thf)4]
• Formula: C16 H32 Br3 Ce O4
• Calculated formula: C16 H32 Br3 Ce O4
• SMILES: [Ce](Br)(Br)(Br)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 8.2536 ± 0.0007 Å
• b: 9.4157 ± 0.0005 Å
• c: 15.5935 ± 0.0014 Å
• α: 79.009 ± 0.005°
• β: 87.29 ± 0.003°
• γ: 74.835 ± 0.005°
• Cell volume: 1148.17 ± 0.16 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: 0.0841
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No