Information card for entry 4307221

Structure parameters

• Common name: Praseodymium carboxylate
• Formula: C21 H15 N3 O15 Pr2
• Calculated formula: C21 H9 N3 O15 Pr2
• Title of publication: A New Series of Three-Dimensional Metal-Organic Framework, [M2(H2O)][C5N1H3(COO)2]3.2H2O, M = La, Pr, and Nd: Synthesis, Structure, and Properties
• Authors of publication: Partha Mahata; Srinivasan Natarajan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1250 - 1258
• a: 8.9814 ± 0.0018 Å
• b: 17.278 ± 0.004 Å
• c: 15.462 ± 0.003 Å
• α: 90°
• β: 102.233 ± 0.004°
• γ: 90°
• Cell volume: 2344.9 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No