Information card for entry 7218691

Structure parameters

• Formula: C9 H9 Cu N3
• Calculated formula: C9 H9 Cu N3
• Title of publication: Charge-transfer metal-organic frameworks based on CuCN architecture units: crystal structures, luminescence properties and theoretical investigations
• Authors of publication: Huang, RongYi; Xue, Chen; Zhu, Chang-Hai; Wang, Zhu-Qing; Xu, Heng; Ren, Xiao-Ming
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 13.868 ± 0.003 Å
• b: 22.973 ± 0.004 Å
• c: 24.215 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7715 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No