Information card for entry 4507853

Structure parameters

• Formula: C10 H20 N2 O20 U2
• Calculated formula: C10 H20 N2 O20 U2
• SMILES: C12C(=[O][U]3(=O)(=O)([OH2])(O2)OC(=O)C(=O)O3)O[U]2(=O)([OH2])([O]=1)(OC(=O)C(=O)O2)=O.C1[NH2+]CC[NH2+]C1.O.O
• Title of publication: Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl–Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)
• Authors of publication: Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 2597
• a: 7.7272 ± 0.0001 Å
• b: 8.7359 ± 0.0002 Å
• c: 16.2612 ± 0.0003 Å
• α: 90°
• β: 102.384 ± 0.0008°
• γ: 90°
• Cell volume: 1072.15 ± 0.03 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No