Information card for entry 4307222

Structure parameters

• Common name: Neodymium carboxylate
• Formula: C21 H15 N3 Nd2 O15
• Calculated formula: C21 H9 N3 Nd2 O15
• 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: 8.9586 ± 0.0019 Å
• b: 17.246 ± 0.004 Å
• c: 15.406 ± 0.003 Å
• α: 90°
• β: 102.033 ± 0.004°
• γ: 90°
• Cell volume: 2327.9 ± 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: 0.1119
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No