Information card for entry 4065827

Structure parameters

• Formula: C17 H25 N3 O Zn2
• Calculated formula: C17 H25 N3 O Zn2
• SMILES: [Zn]12([O](C(C)C)[Zn]3([N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)C)C
• Title of publication: Synthesis and Catalytic Reactivity of Bis(alkylzinc)-hydride-di(2-pyridylmethyl)amides
• Authors of publication: Kahnes, Marcel; Görls, Helmar; González, Leticia; Westerhausen, Matthias
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 14
• Pages of publication: 3098
• a: 26.6205 ± 0.0005 Å
• b: 8.4091 ± 0.0001 Å
• c: 16.9137 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3786.21 ± 0.11 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No