Information card for entry 7046172

Structure parameters

• Formula: C10 H7 Cu3 N8
• Calculated formula: C10 H7 Cu3 N8
• Title of publication: A cyano-bridged Cu(i)-based organic framework coupled with the C-C bond cleavage of acetonitrile for selective and sensitive sensing of Fe³⁺ ions.
• Authors of publication: Gai, Yanli; Zhao, Xueyan; Chen, Yan; Yang, Silei; Xia, Xinshu; Liu, Shan; Wan, Xiuyan; Xiong, Kecai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 20
• Pages of publication: 6888 - 6892
• a: 7.978 ± 0.003 Å
• b: 8.8 ± 0.003 Å
• c: 10.66 ± 0.004 Å
• α: 112.999 ± 0.003°
• β: 97.436 ± 0.004°
• γ: 106.403 ± 0.004°
• Cell volume: 636 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No