Information card for entry 4067542

Structure parameters

• Formula: C14 H21 I N2 Zn
• Calculated formula: C14 H21 I N2 Zn
• SMILES: C12C(C=CC(=CC=1)I)=[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: 15.1756 ± 0.001 Å
• b: 8.5077 ± 0.0007 Å
• c: 25.432 ± 0.0019 Å
• α: 90°
• β: 100.226 ± 0.006°
• γ: 90°
• Cell volume: 3231.4 ± 0.4 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: 0.086
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No