Information card for entry 4127610

Structure parameters

• Formula: C60 H112 K N8 O6 Sc2
• Calculated formula: C60 H112 K N8 O6 Sc2
• Title of publication: Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.
• Authors of publication: Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 22
• Pages of publication: 8773 - 8777
• a: 14.6301 ± 0.0003 Å
• b: 16.8287 ± 0.0005 Å
• c: 18.4005 ± 0.0005 Å
• α: 113.865 ± 0.003°
• β: 95.582 ± 0.002°
• γ: 102.815 ± 0.002°
• Cell volume: 3949.9 ± 0.2 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No