Information card for entry 4067544

Structure parameters

• Formula: C26 H34 N2 S Zn
• Calculated formula: C26 H34 N2 S Zn
• SMILES: C12C(C=CC(=CC=1)Sc1ccccc1)=[N]([Zn](C)N2C1CCCCC1)C1CCCCC1
• Title of publication: Functionalized Aminotroponiminate Zinc Complexes as Catalysts for the Intramolecular Hydroamination of Alkenes
• Authors of publication: Dochnahl, Maximilian; Löhnwitz, Karolin; Lühl, Anja; Pissarek, Jens-Wolfgang; Biyikal, Mustafa; Roesky, Peter W.; Blechert, Siegfried
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 2637
• a: 15.422 ± 0.003 Å
• b: 9.7429 ± 0.0011 Å
• c: 17.688 ± 0.003 Å
• α: 90°
• β: 113.713 ± 0.013°
• γ: 90°
• Cell volume: 2433.3 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0871
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No