Information card for entry 4503601

Structure parameters

• Formula: C8 H32 Ce2 Cl6 O8
• Calculated formula: C8 H32 Ce2 Cl6 O8
• SMILES: C[OH][Ce]1([OH]C)([OH]C)([Cl][Ce]([OH]C)([OH]C)([OH]C)([OH]C)([Cl]1)(Cl)Cl)(Cl)(Cl)[OH]C
• Title of publication: Cerium Chloride−methanol Adduct Crystals, CeCl3(CH3OH)4: Preparation, Crystallography, And Scintillation Properties
• Authors of publication: Chakoumakos, B. C.; Custelcean, R.; Ramey, J. O.; Kolopus, J. A.; Jin, Rongying; Neal, J. S.; Wisniewski, D. J.; Boatner, L. A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 2070
• a: 8.7092 ± 0.0005 Å
• b: 18.51 ± 0.0009 Å
• c: 8.2392 ± 0.0004 Å
• α: 90°
• β: 108.946 ± 0.001°
• γ: 90°
• Cell volume: 1256.26 ± 0.11 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: 0.0141
• Residual factor for significantly intense reflections: 0.0137
• Weighted residual factors for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.0343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No