Information card for entry 4332596

Structure parameters

• Formula: C21 H16 N3 Nd2 O15.5
• Calculated formula: C21 H9 N3 Nd2 O15.5
• Title of publication: Synthesis and Characterization of Metal−Organic Frameworks Based on 4-Hydroxypyridine-2,6-dicarboxylic Acid and Pyridine-2,6-dicarboxylic Acid Ligands
• Authors of publication: Gao, Hong-Ling; Yi, Long; Zhao, Bin; Zhao, Xiao-Qing; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 5980 - 5988
• a: 11.026 ± 0.014 Å
• b: 17.54 ± 0.02 Å
• c: 13.472 ± 0.018 Å
• α: 90°
• β: 100.93 ± 0.02°
• γ: 90°
• Cell volume: 2558 ± 6 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: 0.0484
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No