Information card for entry 4067543

Structure parameters

• Formula: C20 H26 N2 Se Zn
• Calculated formula: C20 H26 N2 Se Zn
• SMILES: C12C(C=CC(=CC=1)[Se]c1ccccc1)=[N]([Zn](C)N2C(C)C)C(C)C
• 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: 9.7435 ± 0.0009 Å
• b: 10.2851 ± 0.001 Å
• c: 11.3486 ± 0.0011 Å
• α: 106.45 ± 0.008°
• β: 98.432 ± 0.008°
• γ: 111.941 ± 0.008°
• Cell volume: 970.13 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No