Information card for entry 4119864

Structure parameters

• Formula: C49 H76 N7 Sc Si
• Calculated formula: C49 H76 N7 Sc Si
• SMILES: [Sc]123([N](=C(C)C=C(N1CC[N]2(CCN(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(Nc1c(cccc1C(C)C)C(C)C)n1[n]3c([Si](C)(C)C)c(c1)Cc1ccccc1
• 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: 9.342 ± 0.003 Å
• b: 13.128 ± 0.004 Å
• c: 20.113 ± 0.006 Å
• α: 86.914 ± 0.005°
• β: 81.086 ± 0.005°
• γ: 82.425 ± 0.005°
• Cell volume: 2414.2 ± 1.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.1019
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1869
• Weighted residual factors for all reflections included in the refinement: 0.2125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No