Information card for entry 4318400

Structure parameters

• Formula: C8 H15 N2 Nd O11
• Calculated formula: C8 N2 Nd O10
• Title of publication: Three-Dimensional Open-Framework Neodymium Oxalates with Organic Functional Groups Protruding in 12-Member Channels
• Authors of publication: R. Vaidhyanathan; Srinivasan Natarajan; C. N. R. Rao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4496 - 4501
• a: 9.0279 ± 0.0004 Å
• b: 18.1362 ± 0.0008 Å
• c: 8.5631 ± 0.0004 Å
• α: 90°
• β: 102.735 ± 0.001°
• γ: 90°
• Cell volume: 1367.56 ± 0.11 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: 0.0275
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for all reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.0599
• Goodness-of-fit parameter for all reflections: 1.112
• Goodness-of-fit parameter for significantly intense reflections: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No