Information card for entry 4506557

Structure parameters

• Formula: C11 H10 Cl N3 Nd O8
• Calculated formula: C11 H5 Cl N3 Nd O8
• Title of publication: Construction of Lanthanide‒Organic Frameworks from 2-(pyridine-3-yl)-1H-4,5-imidazoledicarboxylate and Oxalate
• Authors of publication: Jing, Xuemin; Zhou, Xiaoying; Zhao, Tingting; Huo, Qisheng; Liu, Yunling
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4225
• a: 28.038 ± 0.006 Å
• b: 7.008 ± 0.0014 Å
• c: 16.563 ± 0.003 Å
• α: 90°
• β: 125.2 ± 0.03°
• γ: 90°
• Cell volume: 2659.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No