Information card for entry 2213949

Structure parameters

• Chemical name: Poly[[diaquatris[μ~4~-(p-phenylenedioxy)diacetato]dipraseodymium(III)] dihydrate]
• Formula: C30 H32 O22 Pr2
• Calculated formula: C30 H32 O22 Pr2
• SMILES: C(=O)([O-])COc1ccc(cc1)OCC(=O)[O-].O=C([O-])COc1ccc(OCC(=O)[O-])cc1.[Pr+3].[Pr+3].O.O.C(=O)(COc1ccc(cc1)OCC(=O)[O-])[O-].O.O
• Title of publication: Poly[[diaquatris[μ~4~-(<i>p</i>-phenylenedioxy)diacetato]dipraseodymium(III)] dihydrate]
• Authors of publication: Rong-Hua Zeng; Yong-Cai Qiu; Yue-Peng Cai; Jian-Zhong Wu; Hong Deng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1666 - m1666
• a: 12.1685 ± 0.0003 Å
• b: 16.9339 ± 0.0004 Å
• c: 8.9299 ± 0.0002 Å
• α: 90°
• β: 108.956 ± 0.001°
• γ: 90°
• Cell volume: 1740.31 ± 0.07 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes