Information card for entry 7029213

Structure parameters

• Formula: C28 H22 N8 Ni O6
• Calculated formula: C28 H22 N8 Ni O6
• 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: 12.9802 ± 0.0006 Å
• b: 13.9605 ± 0.0006 Å
• c: 15.0889 ± 0.0006 Å
• α: 90°
• β: 102.463 ± 0.004°
• γ: 90°
• Cell volume: 2669.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No