Information card for entry 4501728

Structure parameters

• Formula: C42 H45 N13 O17 Zn3
• Calculated formula: C42 H43 N13 O17 Zn3
• 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: 18.206 ± 0.004 Å
• b: 18.32 ± 0.004 Å
• c: 14.765 ± 0.003 Å
• α: 90°
• β: 92.16 ± 0.03°
• γ: 90°
• Cell volume: 4921.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1245
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No