Information card for entry 2225692

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aquadioxidouranium(VI)]-μ~3~-4,4'-oxydibenzoato]
• Formula: C14 H10 O8 U
• Calculated formula: C14 H10 O8 U
• SMILES: [U]123([O]=C(O[U]([O]=C(O1)c1ccc(cc1)Oc1ccc(C(=O)[O-])cc1)(=O)(=O)[OH2])c1ccc(cc1)Oc1ccc(C4=[O][U]5(O4)(OC(=[O][U](OC(=[O]5)c4ccc(cc4)Oc4ccc(C(=O)[O-])cc4)(=O)(=O)[OH2])c4ccc(cc4)Oc4ccc(C(=[O]2)O3)cc4)(=O)(=O)[OH2])cc1)(=O)(=O)[OH2]
• Title of publication: <i>catena</i>-Poly[[aquadioxidouranium(VI)]-μ~3~-4,4'-oxydibenzoato]
• Authors of publication: Wang, Wei; Zhang, Dao-Jun; Fan, Yong; Song, Tian-You; Zhang, Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m462
• a: 16.016 ± 0.0006 Å
• b: 8.8832 ± 0.0003 Å
• c: 10.1952 ± 0.0004 Å
• α: 90°
• β: 95.736 ± 0.001°
• γ: 90°
• Cell volume: 1443.24 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0244
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes