Information card for entry 4330538

Structure parameters

• Common name: (CeCl3)7(PrOH)18(H2O)2
• Formula: C54 H126 Ce7 Cl21 O20
• Calculated formula: C54 H126 Ce7 Cl21 O20
• 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: 13.6787 ± 0.0015 Å
• b: 20.156 ± 0.002 Å
• c: 21.192 ± 0.002 Å
• α: 104.428 ± 0.002°
• β: 104.554 ± 0.002°
• γ: 97.692 ± 0.002°
• Cell volume: 5355.3 ± 0.9 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: 0.0922
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No