Information card for entry 4066180

Structure parameters

• Formula: C41 H61 N3 O Si4 Zn2
• Calculated formula: C41 H61 N3 O Si4 Zn2
• SMILES: [Zn]12([O](C(C#Cc3ccccc3)c3ccccc3)[Zn]3([N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)C([Si](C)(C)C)[Si](C)(C)C)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: 11.9012 ± 0.0004 Å
• b: 21.4948 ± 0.0006 Å
• c: 18.1196 ± 0.0007 Å
• α: 90°
• β: 90.497 ± 0.002°
• γ: 90°
• Cell volume: 4635.1 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• 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: 0.1228
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No