Information card for entry 7107493

Structure parameters

• Formula: C40 H61 Cu I N6 Sc
• Calculated formula: C40 H61 Cu I N6 Sc
• SMILES: [Sc]12(N(c3c(cccc3C(C)C)C(C)C)[Cu]I)([N](=C(C)C=C(N1CC[N]2(C)C)C)c1c(cccc1C(C)C)C(C)C)[n]1ccc(N(C)C)cc1
• Title of publication: Reactivity of scandium terminal imido complexes towards metal halides
• Authors of publication: Erli Lu; Qinghai Zhou; Yuxue Li; Jiaxiang Chu; Yaofeng Chen; Xuebing Leng; Jie Sun
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3403
• a: 11.2772 ± 0.0009 Å
• b: 36.002 ± 0.003 Å
• c: 14.1324 ± 0.0012 Å
• α: 90°
• β: 104.966 ± 0.002°
• γ: 90°
• Cell volume: 5543.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No