Information card for entry 7105815

Structure parameters

• Common name: \ (N-(2,6-diisopropylphenyl)-N-((1Z,3E)-3-(N-(2-(N- selenolatomethyl-N-methylamino)ethyl)imino)-1-\ methylbut-1-enyl)amido- kappaN$1!,N$2!,N$3!,Se)\ (N-(2,6-diisopropylphenyl)amido)scandium(iii), adduct with hexane 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>-selenolatomethyl-<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>Se</i>}[<i>N</i>-(2,6-diisopropylphenyl)amido]scandium(III), adduct with hexane 1 : 1
• Formula: C42 H72 N5 Sc Se
• Calculated formula: C42 H72 N5 Sc Se
• SMILES: [Sc]1234([Se]C[N]4(CC[N]3(CCN2C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)C)C)Nc1c(cccc1C(C)C)C(C)C.CCCCCC
• 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: 15.693 ± 0.005 Å
• b: 18.073 ± 0.006 Å
• c: 15.673 ± 0.005 Å
• α: 90°
• β: 90.126 ± 0.008°
• γ: 90°
• Cell volume: 4445 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1988
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No