Information card for entry 4514787

Structure parameters

• Formula: C8 H6 N
• Calculated formula: C8 H6 N
• Title of publication: Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation
• Authors of publication: Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 6335
• a: 7.8048 ± 0.0003 Å
• b: 5.9454 ± 0.0003 Å
• c: 13.2408 ± 0.0005 Å
• α: 90°
• β: 92.593 ± 0.004°
• γ: 90°
• Cell volume: 613.78 ± 0.05 ų
• Cell temperature: 172.98 ± 0.1 K
• Ambient diffraction temperature: 172.98 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0648
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No