Information card for entry 4324640

Structure parameters

• Formula: C78 H62 N12 O22 Zn3
• Calculated formula: C78 H60 N12 O21 Zn3
• Title of publication: Six New Metal-Organic Frameworks Based on Polycarboxylate Acids and V-shaped Imidazole-Based Synthon: Syntheses, Crystal Structures, and Properties
• Authors of publication: Jinsong Hu; Liangfang Huang; Xiaoqiang Yao; Ling Qin; Yizhi Li; Zijian Guo; Hegen Zheng; Ziling Xue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2404 - 2414
• a: 25.498 ± 0.005 Å
• b: 30.011 ± 0.006 Å
• c: 44.331 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 33923 ± 12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No