Information card for entry 7218690

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: 15.7226 ± 0.0006 Å
• b: 14.1888 ± 0.0006 Å
• c: 9.1539 ± 0.0003 Å
• α: 90°
• β: 101.662 ± 0.003°
• γ: 90°
• Cell volume: 1999.94 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No