Information card for entry 4517090

Structure parameters

• Formula: C48 H38 Cu N8 Nd2 O25
• Calculated formula: C48 H38 Cu N8 Nd2 O25
• Title of publication: A Series of CuII‒LnIII Metal‒Organic Frameworks Based on 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures, and Magnetic Properties
• Authors of publication: Liu, Ke; Zhou, Jing-Min; Li, Hui-Min; Xu, Na; Cheng, Peng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 6409
• a: 45.3447 ± 0.0007 Å
• b: 45.3447 ± 0.0007 Å
• c: 11.2994 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23233.2 ± 0.8 ų
• Cell temperature: 122.8 ± 0.5 K
• Ambient diffraction temperature: 122.8 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No