Information card for entry 4119866

Structure parameters

• Formula: C53 H77 N9 Sc Si
• Calculated formula: C53 H77 N9 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: 12.2682 ± 0.0013 Å
• b: 12.3135 ± 0.0013 Å
• c: 18.995 ± 0.002 Å
• α: 85.338 ± 0.002°
• β: 75.162 ± 0.002°
• γ: 72.93 ± 0.002°
• Cell volume: 2651.5 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No