Information card for entry 7702755

Structure parameters

• Chemical name: diaquabis(chloranilato)thorium(IV) hydrate
• Formula: C12 H12 Cl4 O14 Th
• Calculated formula: C12 Cl4 O14 Th
• 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: 13.884 ± 0.001 Å
• b: 11.522 ± 0.001 Å
• c: 12.72 ± 0.001 Å
• α: 90°
• β: 96.231 ± 0.008°
• γ: 90°
• Cell volume: 2022.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No