Information card for entry 4501730

Structure parameters

• Formula: C40 H23 N12 Nd3 O18
• Calculated formula: C40 N12 Nd3 O18
• Title of publication: Construction of Three Metal−Organic Frameworks Based on Multifunctional T-Shaped Tripodal Ligands, H3PyImDC
• Authors of publication: Jing, Xuemin; Meng, He; Li, Guanghua; Yu, Yang; Huo, Qisheng; Eddaoudi, Mohamed; Liu, Yunling
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 3489
• a: 16.847 ± 0.002 Å
• b: 20.71 ± 0.004 Å
• c: 22.468 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7839 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No