Information card for entry 7043553

Structure parameters

• Formula: C40 H44 Co2 N18 O13
• Calculated formula: C32 H22 Co2 N16 O9
• 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: 16.14 ± 0.002 Å
• b: 16.14 ± 0.002 Å
• c: 16.758 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3780.6 ± 0.8 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 171
• Hermann-Mauguin space group symbol: P 62
• Hall space group symbol: P 62
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1287
• 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: Yes
• Has Fobs: No