Information card for entry 7029210

Structure parameters

• Formula: C28 H18 N8 O6 Zn
• Calculated formula: C28 H18 N8 O6 Zn
• Title of publication: Metal-organic frameworks built from achiral 3-(5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoic acid: syntheses and structures of metal(II) complexes.
• Authors of publication: Gong, Yun; Zhang, Miao Miao; Hua, Wei; Sun, Jun Liang; Shi, Hui Fang; Jiang, Peng Gang; Liao, Fu Hui; Lin, Jian Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 1
• Pages of publication: 145 - 151
• a: 10.0386 ± 0.0002 Å
• b: 10.0386 ± 0.0002 Å
• c: 26.4595 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2666.42 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 91
• Hermann-Mauguin space group symbol: P 41 2 2
• Hall space group symbol: P 4w 2c
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No