Information card for entry 7003734

Structure parameters

• Formula: C20 H26 N2 S Zn
• Calculated formula: C20 H26 N2 S Zn
• SMILES: C12C(C=CC(=CC=1)Sc1ccccc1)=[N]([Zn](C)N2C(C)C)C(C)C
• Title of publication: Electronic modification of an aminotroponiminate zinc complex leading to an increased reactivity in the hydroamination of alkenes
• Authors of publication: Dochnahl, Maximilian; Löhnwitz, Karolin; Pissarek, Jens-Wolfgang; Roesky, Peter W.; Blechert, Siegfried
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 21
• Pages of publication: 2844 - 2848
• a: 9.782 ± 0.0008 Å
• b: 10.2833 ± 0.0009 Å
• c: 11.2587 ± 0.0009 Å
• α: 106.262 ± 0.007°
• β: 97.856 ± 0.007°
• γ: 112.659 ± 0.007°
• Cell volume: 964.31 ± 0.17 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: 0.0268
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No