Information card for entry 2233786

Structure parameters

• Chemical name: Poly[[tetraaquadi-μ~4~-oxalato-μ~2~-oxalato-dineodymium(III)] dihydrate]
• Formula: C6 H12 Nd2 O18
• Calculated formula: C6 H12 Nd2 O18
• SMILES: [Nd]([OH2])[OH2].[Nd]([OH2])[OH2].O.O.C(=O)([O-])C(=O)[O-].C(=O)([O-])C(=O)[O-].C(=O)([O-])C(=O)[O-]
• Title of publication: Poly[[tetraaquadi-μ~4~-oxalato-μ~2~-oxalato-dineodymium(III)] dihydrate]
• Authors of publication: Cao, Gao-Juan; Rong, Cheng; Li, Qing-lu; Jiang, Wen-Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m289
• a: 6.036 ± 0.003 Å
• b: 7.603 ± 0.003 Å
• c: 8.906 ± 0.004 Å
• α: 98.386 ± 0.006°
• β: 99.742 ± 0.003°
• γ: 96.802 ± 0.005°
• Cell volume: 394.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes