Information card for entry 7125964

Structure parameters

• Formula: C64 H104 K2 N4 O19
• Calculated formula: C64 H104 K2 N4 O19
• Title of publication: Stable, yet "naked", azo radical anion ArNNAr^- and dianion ArNNAr^2- (Ar = 4-CN-2,6-ⁱPr₂-C₆H₂) with selective CO₂ activation.
• Authors of publication: Wang, Wenqing; Tan, Gengwen; Feng, Rui; Fang, Yong; Chen, Chao; Ruan, Huapeng; Zhao, Yue; Wang, Xinping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 22
• Pages of publication: 3285 - 3288
• a: 12.996 ± 0.0006 Å
• b: 26.8623 ± 0.0014 Å
• c: 22.322 ± 0.0011 Å
• α: 90°
• β: 101.922 ± 0.003°
• γ: 90°
• Cell volume: 7624.6 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No