Information card for entry 4303864

Structure parameters

• Formula: Cl4 H18 O25 Th
• Calculated formula: Cl4 H18 O25 Th
• SMILES: [Th]1([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])OCl(=O)(=O)=[O]1.O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Hydration and Hydrolysis of Thorium(IV) in Aqueous Solution and the Structures of Two Crystalline Thorium(IV) Hydrates
• Authors of publication: Natallia Torapava; Ingmar Persson; Lars Eriksson; Daniel Lundberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11712 - 11723
• a: 9.9008 ± 0.0008 Å
• b: 18.733 ± 0.0015 Å
• c: 10.9694 ± 0.0009 Å
• α: 90°
• β: 95.151 ± 0.002°
• γ: 90°
• Cell volume: 2026.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No