Information card for entry 7018070

Structure parameters

• Formula: C15 H34 Br4 Ce N O3
• Calculated formula: C15 H14 Br4 Ce N O3
• Title of publication: Ionic liquid mediated routes to polydentate oxygen-donor adducts of cerium(iii) bromide.
• Authors of publication: Vasudevan, Kalyan V.; Smith, Nickolaus A.; Scott, Brian L.; Bennett, Bryan L.; Muenchausen, Ross E.; Gordon, John C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 1924 - 1927
• a: 15.7138 ± 0.0011 Å
• b: 10.3798 ± 0.0007 Å
• c: 15.0842 ± 0.0011 Å
• α: 90°
• β: 103.691 ± 0.001°
• γ: 90°
• Cell volume: 2390.4 ± 0.3 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.423
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No