Information card for entry 4501264

Structure parameters

• Formula: C6 H18 Br3 Ce O3
• Calculated formula: C6 H18 Br3 Ce O3
• Title of publication: Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials
• Authors of publication: Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 5072
• a: 22.321 ± 0.0017 Å
• b: 9.2553 ± 0.0007 Å
• c: 14.2247 ± 0.0011 Å
• α: 90°
• β: 96.847 ± 0.001°
• γ: 90°
• Cell volume: 2917.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No