Information card for entry 4518681

Structure parameters

• Formula: C12 H14 N Nd O8
• Calculated formula: C12 H14 N Nd O8
• Title of publication: Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity
• Authors of publication: Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo
• Journal of publication: ACS Omega
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 15
• Pages of publication: 10475 - 10485
• a: 6.1774 ± 0.0018 Å
• b: 22.134 ± 0.007 Å
• c: 11.445 ± 0.004 Å
• α: 90°
• β: 99.446 ± 0.004°
• γ: 90°
• Cell volume: 1543.7 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 0.603
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No