Information card for entry 7043552

Structure parameters

• Formula: C16 H14 Co N8 O6
• Calculated formula: C16 H14 Co N8 O6
• 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: 11.7 ± 0.002 Å
• b: 6.9671 ± 0.0012 Å
• c: 11.849 ± 0.002 Å
• α: 90°
• β: 117.789 ± 0.003°
• γ: 90°
• Cell volume: 854.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0344
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No