Information card for entry 2224710

Structure parameters

• Chemical name: Poly[[tetraaquadi-μ~3~-oxalato-μ~2~-oxalato-diprasedymium(III)] dihydrate]
• Formula: C6 H12 O18 Pr2
• Calculated formula: C6 H12 O18 Pr2
• SMILES: C(=O)([O-])C(=O)[O-].C(=O)(C(=O)[O-])[O-].[Pr+3].[Pr+3].O.O.O.C(=O)(C(=O)[O-])[O-].O.O.O
• Title of publication: Poly[[tetraaquadi-μ~3~-oxalato-μ~2~-oxalato-diprasedymium(III)] dihydrate]
• Authors of publication: Chen, Jian-Hong; Fang, Hua-Cai; Jia, Hong-Yang; Li, Shan-Shan; Cai, Yue-Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m82
• a: 9.8834 ± 0.0005 Å
• b: 8.2811 ± 0.0004 Å
• c: 10.1818 ± 0.0005 Å
• α: 90°
• β: 99.053 ± 0.001°
• γ: 90°
• Cell volume: 822.95 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0168
• Residual factor for significantly intense reflections: 0.0155
• Weighted residual factors for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections included in the refinement: 0.0353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes