Information card for entry 7702746

Structure parameters

• Chemical name: hexaaquatris(chloranilato)dicerium(III) hydrate
• Formula: C18 H36 Ce2 Cl6 O30
• Calculated formula: C18 Ce2 Cl6 O29.846
• 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: 9.948 ± 0.0008 Å
• b: 10.043 ± 0.0007 Å
• c: 11.194 ± 0.0006 Å
• α: 88.914 ± 0.005°
• β: 85.035 ± 0.006°
• γ: 67.714 ± 0.006°
• Cell volume: 1030.83 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No