Information card for entry 4325101

Structure parameters

• Formula: C25 H23 Br3 Ce N5
• Calculated formula: C25 H23 Br3 Ce N5
• SMILES: [Ce]1(Br)(Br)(Br)([n]2ccccc2c2[n]1cccc2)([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: 16.77 ± 0.004 Å
• b: 9.657 ± 0.002 Å
• c: 17.881 ± 0.004 Å
• α: 90°
• β: 115.304 ± 0.002°
• γ: 90°
• Cell volume: 2617.9 ± 1 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No