Information card for entry 7018069

Structure parameters

• Formula: C18 H42 Br6 Ce2 O9
• Calculated formula: C18 H42 Br6 Ce2 O9
• SMILES: [Ce]1234(Br)(Br)([O](C)CC[O]1CC[O]2C)[O](C)CC[O]3CC[O]4C.[Ce]12(Br)(Br)(Br)(Br)[O](C)CC[O]1CC[O]2C
• 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: 9.167 ± 0.0006 Å
• b: 24.8802 ± 0.0015 Å
• c: 15.4087 ± 0.0009 Å
• α: 90°
• β: 99.275 ± 0.001°
• γ: 90°
• Cell volume: 3468.4 ± 0.4 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• 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: 0.0431
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No