Information card for entry 4325103

Structure parameters

• Formula: C20 H20 Br3 Ce N4
• Calculated formula: C20 H20 Br3 Ce N4
• SMILES: [Ce](Br)(Br)(Br)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1
• Title of publication: An Ionic Liquid-Mediated Route to Cerium(III) Bromide Solvates
• Authors of publication: Kalyan V. Vasudevan; Nickolaus A. Smith; Brian L. Scott; Edward A. McKigney; Michael W. Blair; John C. Gordon; Ross E. Muenchausen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4627 - 4631
• a: 17.1142 ± 0.0011 Å
• b: 17.2768 ± 0.0011 Å
• c: 32.582 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9633.8 ± 1.1 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No