Information card for entry 4119867

Structure parameters

• Formula: C47 H73 N8 S Sc Si
• Calculated formula: C47 H73 N8 S Sc Si
• Title of publication: Chameleon Behavior of a Newly Synthesized Scandium Nitrilimine Derivative
• Authors of publication: Jiaxiang Chu; Christos E. Kefalidis; Laurent Maron; Xuebing Leng; Yaofeng Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 8165 - 8168
• a: 12.1133 ± 0.0013 Å
• b: 18.69 ± 0.002 Å
• c: 24.395 ± 0.003 Å
• α: 90°
• β: 96.219 ± 0.002°
• γ: 90°
• Cell volume: 5490.5 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0944
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No