Information card for entry 4326891

Structure parameters

• Common name: JW251
• Formula: C49 H108 Ce3 O11
• Calculated formula: C49 H108 Ce3 O11
• SMILES: C(C)([O]12[Ce]34([O]5[Ce]1([O]4CC(C)(C)C)([O](CC(C)(C)C)[Ce]25([O]3CC(C)(C)C)(OCC(C)(C)C)OCC(C)(C)C)(OCC(C)(C)C)OCC(C)(C)C)(OCC(C)(C)C)OCC(C)(C)C)(C)C
• Title of publication: Ce(IV) Complexes with Donor-Functionalized Alkoxide Ligands: Improved Precursors for Chemical Vapor Deposition of CeO2
• Authors of publication: Helen C. Aspinall; John Bacsa; Anthony C. Jones; Jacqueline S. Wrench; Kate Black; Paul R. Chalker; Peter J. King; Paul Marshall; Matthew Werner; Hywel O. Davies; Rajesh Odedra
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11644 - 11652
• a: 19.0918 ± 0.0017 Å
• b: 19.0918 ± 0.0017 Å
• c: 23.342 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7368.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No