Information card for entry 2234841

Structure parameters

• Chemical name: Poly[[diaqua[μ~2~-3-carboxy-5-(pyridine-4-carboxamido)benzoato][μ~4~- 5-(pyridine-4-carboxamido)isophthalato]cerium(III)] monohydrate]
• Formula: C28 H23 Ce N4 O13
• Calculated formula: C28 H23 Ce N4 O13
• Title of publication: Poly[[diaqua[μ~2~-3-carboxy-5-(pyridine-4-carboxamido)benzoato][μ~4~-5-(pyridine-4-carboxamido)isophthalato]cerium(III)] monohydrate]
• Authors of publication: Deng, Yi-Fang; Nie, Xue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m530
• a: 9.6742 ± 0.0008 Å
• b: 10.6187 ± 0.0008 Å
• c: 15.8542 ± 0.0012 Å
• α: 81.443 ± 0.001°
• β: 78.753 ± 0.002°
• γ: 64.166 ± 0.002°
• Cell volume: 1434 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0864
• 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