Information card for entry 4066177

Structure parameters

• Formula: C40 H34 N6 Zn2
• Calculated formula: C40 H34 N6 Zn2
• SMILES: C(#Cc1ccccc1)[Zn]123[n]4ccccc4C[N]1(Cc1cccc[n]31)[Zn]13([n]4ccccc4C[N]21Cc1cccc[n]31)C#Cc1ccccc1
• Title of publication: Synthesis of Dinuclear Zinc Alkynyls and Their Use in Catalytic Silicon−Carbon Bond Formation
• Authors of publication: Kahnes, Marcel; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 16
• Pages of publication: 3490
• a: 9.9024 ± 0.0002 Å
• b: 14.0656 ± 0.0004 Å
• c: 24.2369 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3375.79 ± 0.14 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.083
• 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