Information card for entry 4312735

Structure parameters

• Formula: C14 H19 N2 O14 Pr
• Calculated formula: C14 H18 N2 O14 Pr
• Title of publication: Coexistence of Water Dimer and Hexamer Clusters in 3D Metal-Organic Framework Structures of Ce(III) and Pr(III) with Pyridine-2,6-dicarboxylic Acid
• Authors of publication: Sujit K. Ghosh; Parimal K. Bharadwaj
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8250 - 8254
• a: 12.893 ± 0.003 Å
• b: 11.2 ± 0.003 Å
• c: 14.06 ± 0.002 Å
• α: 90°
• β: 102.04 ± 0.05°
• γ: 90°
• Cell volume: 1985.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No