Information card for entry 2230863

Structure parameters

• Chemical name: Poly[[diaqua-μ~3~-citrato-praseodymium(III)] monohydrate]
• Formula: C6 H11 O10 Pr
• Calculated formula: C6 H11 O10 Pr
• SMILES: [Pr]123456([OH2])([OH2])OC(=O)CC([OH]2)(C(=O)O1)CC1=[O][Pr]27(O1)([OH2])([OH2])OC(=O)CC([OH]7)(CC(=[O]4)[O]31)C(O2)=[O][Pr]23471([OH2])([OH2])OC(=O)CC([OH]2)(C(=O)O4)CC(=[O]1)O[Pr]124(OC(=O)CC([OH]2)(C(O4)=[O]5)CC([O]63)=[O]7)([OH2])[OH2].O.O.O.O
• Title of publication: Poly[[diaqua-μ~3~-citrato-praseodymium(III)] monohydrate]
• Authors of publication: Han, Li-Jun; Deng, Yuan-Fu; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m981
• a: 6.2645 ± 0.0003 Å
• b: 9.7356 ± 0.0007 Å
• c: 17.0425 ± 0.001 Å
• α: 90°
• β: 91.0672 ± 0.0018°
• γ: 90°
• Cell volume: 1039.22 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0306
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes