Information card for entry 7042940

Structure parameters

• Formula: C33 H32 Co N8 O6
• Calculated formula: C27 H18 Co N6 O4
• Title of publication: Metal‒organic frameworks constructed from tib and carboxylate acid ligands: selective sensing of nitro explosives and magnetic properties
• Authors of publication: Yang, Liu; Cao, Li; Li, Xiao; Qin, Chao; Zhao, Liang; Shao, Kui-Zhan; Su, Zhong-Min
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.537 ± 0.005 Å
• b: 24.197 ± 0.005 Å
• c: 13.211 ± 0.005 Å
• α: 90°
• β: 113.406 ± 0.005°
• γ: 90°
• Cell volume: 3091 ± 2 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: 0.0818
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No