Information card for entry 2231912

Structure parameters

• Chemical name: Poly[diaquabis(μ~4~-fumarato- κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)(μ~4~-fumarato- κ^6^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^4'^) (μ~2~-fumaric acid-κ^2^<i>O</i>^1^:<i>O</i>^4^)dipraseodymium(III)]
• Formula: C16 H14 O18 Pr2
• Calculated formula: C16 H14 O18 Pr2
• SMILES: C(=O)(/C=C/C(=O)[O-])[O-].C(=O)(/C=C/C(=O)[O-])[O-].C(=O)(/C=C/C(=O)O)O.[Pr+3].[Pr+3].O.C(=O)(/C=C/C(=O)[O-])[O-].O
• Title of publication: Poly[diaquabis(μ~4~-fumarato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)(μ~4~-fumarato-κ^6^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^4'^)(μ~2~-fumaric acid-κ^2^<i>O</i>^1^:<i>O</i>^4^)dipraseodymium(III)]
• Authors of publication: Liu, Pei-lian; Cao, Wanwan; Wang, Jin; Zeng, Rong-hua; Zeng, Zhuo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1433 - m1434
• a: 8.3714 ± 0.0003 Å
• b: 14.6034 ± 0.0006 Å
• c: 8.7518 ± 0.0004 Å
• α: 90°
• β: 103.118 ± 0.002°
• γ: 90°
• Cell volume: 1042 ± 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: 0.0174
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes