Information card for entry 1519703

Structure parameters

• Formula: C14 H8 Cu2 N8 O
• Calculated formula: C14 H8 Cu2 N8 O
• Title of publication: A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole)
• Authors of publication: Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 60
• Pages of publication: 48596 - 48606
• a: 14.6978 ± 0.0014 Å
• b: 19.3933 ± 0.0017 Å
• c: 10.356 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2951.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No