Information card for entry 7218692

Structure parameters

• Formula: C23 H18 Cu3 N7
• Calculated formula: C23 H18 Cu3 N7
• 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: 7.3383 ± 0.0009 Å
• b: 9.711 ± 0.0011 Å
• c: 9.8336 ± 0.0012 Å
• α: 61.16 ± 0.007°
• β: 73.893 ± 0.009°
• γ: 74.296 ± 0.008°
• Cell volume: 581.9 ± 0.13 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: 0.0886
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No