Information card for entry 7043549

Structure parameters

• Formula: C24 H18 Cu2 N12 O8
• Calculated formula: C24 H18 Cu2 N12 O8
• Title of publication: The influence of coordination modes and active sites of a 5-(triazol-1-yl) nicotinic ligand on the assembly of diverse MOFs
• Authors of publication: Yan, Yang-Tian; Zhang, Si-Si; Yang, Guo-Ping; Zhang, Wen-Yan; Zhang, Fang; Cao, Feng; Yang, Rui-Feng; Wang, Yao-Yu
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.5524 ± 0.0015 Å
• b: 10.2312 ± 0.0017 Å
• c: 15.549 ± 0.003 Å
• α: 97.356 ± 0.002°
• β: 103.694 ± 0.003°
• γ: 101.972 ± 0.002°
• Cell volume: 1419 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No