Information card for entry 7105812

Structure parameters

• Common name: \ (N-(2,6-diisopropylphenyl)-N-((1Z,3E)-3-(N-(2-(N,N- dimethylamino)ethyl)imino)-1-methylbut-1-\ enyl)amido- kappaN$1!,N$2!,N$3!)(N-(2,6-\ diisopropylphenyl) amido)(4-(N,N- dimethylamino)pyridine-2-selenolate-kappaN$1!, Se)scandium(iii), adduct with toluene 1
• Chemical name: {<i>N</i>-(2,6-diisopropylphenyl)-<i>N</i>-{(1<i>Z</i>,3<i>E</i>)-3- [<i>N</i>-(2-{<i>N</i>,<i>N</i>-dimethylamino}ethyl)imino]-1-methylbut-1-enyl}amido-κ<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^3^}[<i>N</i>-(2,6-diisopropylphenyl) amido][4-(<i>N</i>,<i>N</i>-dimethylamino)pyridine-2-selenolate-κ<i>N</i>^1^, <i>Se</i>]scandium(III), adduct with toluene 1 : 0.75
• Formula: C45.25 H67 N6 Sc Se
• Calculated formula: C45.25 H67 N6 Sc Se
• Title of publication: The scandium terminal imido complexes induced C-H bond selenation and the formation of Sc-Se bond
• Authors of publication: Erli Lu; Jiaxiang Chu; Yaofeng Chen; Maxim Borzov; Guangyu Li
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 743
• a: 16.9407 ± 0.0016 Å
• b: 10.3275 ± 0.001 Å
• c: 27.971 ± 0.003 Å
• α: 90°
• β: 103.202 ± 0.002°
• γ: 90°
• Cell volume: 4764.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1424
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No