Information card for entry 4330541

Structure parameters

• Common name: CeCl3(secBuOH)2(H2O)
• Formula: C8 H22 Ce Cl3 O3
• Calculated formula: C8 H22 Ce Cl3 O3
• 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: 5.7157 ± 0.0005 Å
• b: 11.3696 ± 0.0009 Å
• c: 13.314 ± 0.0011 Å
• α: 70.626 ± 0.001°
• β: 78.74 ± 0.001°
• γ: 77.595 ± 0.001°
• Cell volume: 789.91 ± 0.11 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: 0.024
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No