Information card for entry 4066178

Structure parameters

• Formula: C27 H37 N3 Si2 Zn
• Calculated formula: C27 H37 N3 Si2 Zn
• SMILES: [Zn]1([n]2ccccc2C[NH]1Cc1ncccc1)(C#Cc1ccccc1)C([Si](C)(C)C)[Si](C)(C)C
• 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: 14.9418 ± 0.0004 Å
• b: 11.6911 ± 0.0003 Å
• c: 17.1955 ± 0.0004 Å
• α: 90°
• β: 106.712 ± 0.001°
• γ: 90°
• Cell volume: 2876.94 ± 0.13 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No