Information card for entry 4330540

Structure parameters

• Common name: [(CeCl3)6(iBuOH)15](iBuOH)2
• Formula: C72 Ce6 Cl18 O17
• Calculated formula: C74 Ce6 Cl18 O17
• Title of publication: New Family of Cerium Halide Based Materials: CeX3.ROH Compounds Containing Planes, Chains, and Tetradecanuclear Rings
• Authors of publication: Shae Anne Vaughn; Bryan C. Chakoumakos; Radu Custelcean; Joanne O. Ramey; Mark D. Smith; Lynn A. Boatner; Hans-Conrad zur Loye
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10503 - 10511
• a: 18.0529 ± 0.0018 Å
• b: 26.421 ± 0.003 Å
• c: 28.507 ± 0.003 Å
• α: 90°
• β: 104.334 ± 0.002°
• γ: 90°
• Cell volume: 13174 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1267
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2016
• Weighted residual factors for all reflections included in the refinement: 0.2411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No