Information card for entry 4501260

Structure parameters

• Formula: C8 H32 Br6 Ce2 O8
• Calculated formula: C8 H32 Br6 Ce2 O8
• SMILES: C[OH][Ce]1([OH]C)([OH]C)([OH]C)(Br)(Br)[Br][Ce]([OH]C)([OH]C)([OH]C)([OH]C)([Br]1)(Br)Br
• 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: 8.4166 ± 0.0004 Å
• b: 8.8831 ± 0.0004 Å
• c: 10.5541 ± 0.0005 Å
• α: 112.742 ± 0.001°
• β: 90.845 ± 0.001°
• γ: 107.401 ± 0.001°
• Cell volume: 686.77 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0311
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No