Information card for entry 2202425

Structure parameters

• Formula: C6 H20 N2 O12 S2 U
• Calculated formula: C6 H20 N2 O12 S2 U
• SMILES: [U]12(OS(=O)(=O)O1)(=O)(=O)OS(=O)(=O)O[U]13(=O)(=O)(OS(=O)(=O)O1)OS(O2)(=O)=[O][U]12(=O)(=O)(OS(=O)(=O)O1)OS(=O)(=[O]3)O[U]1(=O)(=O)(OS(=O)(=O)O1)OS(O2)(=O)=O.[NH3+]C1CCC([NH3+])CC1.[NH3+]C1CCC([NH3+])CC1.O.O.[NH3+]C1CCC([NH3+])CC1.[NH3+]C1CCC([NH3+])CC1.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[cyclohexane-1,4-diammonium [[dioxo(sulfato-κ^2^<i>O,O</i>')uranium(VI)]-μ-sulfato] dihydrate]
• Authors of publication: Doran, Michael B.; Norquist, Alexander J.; O'Hare, Dermot
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m765 - m767
• a: 6.7813 ± 0.0001 Å
• b: 10.0636 ± 0.0002 Å
• c: 12.9753 ± 0.0003 Å
• α: 76.7537 ± 0.0007°
• β: 75.6074 ± 0.0007°
• γ: 74.3971 ± 0.0013°
• Cell volume: 813.5 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No