Information card for entry 7211736

Structure parameters

• Formula: C56 H42 N8 O10 S Zn2
• Calculated formula: C56 H42 N8 O10 S Zn2
• Title of publication: Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands
• Authors of publication: Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1175
• a: 10.4927 ± 0.0013 Å
• b: 10.6448 ± 0.0014 Å
• c: 45.543 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5086.8 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No