Information card for entry 4119863

Structure parameters

• Formula: C44 H72 N7 O Sc Si
• Calculated formula: C44 H72 N7 O Sc Si
• SMILES: [Sc]12(OC(C([Si](C)(C)C)=N#N)(C)C#C)([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
• 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: 10.673 ± 0.002 Å
• b: 33.23 ± 0.007 Å
• c: 14.249 ± 0.003 Å
• α: 90°
• β: 111.753 ± 0.003°
• γ: 90°
• Cell volume: 4693.7 ± 1.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1637
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No