Information card for entry 7105814

Structure parameters

• Common name: \ (N-(2,6-diisopropylphenyl)-N-((1Z,3E)-3-(N-(2,6- diisopropylphenyl)-N-((1Z,3E)-3-(N-(2-(N-(2-(N,N-dimethylamino)ethyl)-N- methylamino)ethyl)imino)-1-methylbut-1-enyl)amido- kappaN$1!,N$2!,N$3!)(N-(2,6-diisopropylphenyl)imido)\ scandium(iii)
• Chemical name: {<i>N</i>-(2,6-diisopropylphenyl)-<i>N</i>-{(1<i>Z</i>,3<i>E</i>)-3- {<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>-[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]- <i>N</i>-methylamino}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)imido]scandium(III)
• Formula: C36 H58 N5 Sc
• Calculated formula: C36 H58 N5 Sc
• SMILES: [Sc]123([N](=C(C)C=C(N1CC[N]2(CC[N]3(C)C)C)C)c1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C
• 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: 10.9539 ± 0.001 Å
• b: 13.6426 ± 0.0012 Å
• c: 14.4239 ± 0.0013 Å
• α: 74.071 ± 0.002°
• β: 69.856 ± 0.002°
• γ: 67.166 ± 0.002°
• Cell volume: 1840.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No