Information card for entry 7702753

Structure parameters

• Chemical name: hexaaquatris(cholranilato)discandium(III) hydrate
• Formula: C18 H32 Cl6 O28 Sc2
• Calculated formula: C18 Cl6 O28 Sc2
• 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: 9.056 ± 0.001 Å
• b: 19.258 ± 0.002 Å
• c: 21.842 ± 0.003 Å
• α: 90°
• β: 96.75 ± 0.009°
• γ: 90°
• Cell volume: 3782.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0879
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No