Information card for entry 7702749

Structure parameters

• Chemical name: hexaaquatris(chloranilato)dicerium(III) hydrate
• Formula: C18 H36 Ce2 Cl6 O30
• Calculated formula: C18 Ce2 Cl6 O30.28
• Title of publication: Dihydroxybenzoquinone and chloranilic acid derivatives of rare earth metals
• Authors of publication: Abrahams, Brendan F.; Coleiro, Joseph; Ha, Karen; Hoskins, Bernard F.; Orchard, Simon D.; Robson, Richard
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1586
• a: 11.376 ± 0.002 Å
• b: 16.598 ± 0.003 Å
• c: 11.224 ± 0.002 Å
• α: 90°
• β: 92.83 ± 0.02°
• γ: 90°
• Cell volume: 2116.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No