Information card for entry 4071368

Structure parameters

• Formula: C22 H49 I Si4 Sn
• Calculated formula: C22 H49 I Si4 Sn
• SMILES: I[Sn]1(C(C#CC)CC)C([Si](C)(C)C)([Si](C)(C)C)CCC1([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Direct Formation of Propargyltin Compounds via C−H Activation
• Authors of publication: Kavara, Ajdin; Kampf, Jeff W.; Banaszak Holl, Mark M.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 2896
• a: 11.6583 ± 0.0009 Å
• b: 16.829 ± 0.001 Å
• c: 16.076 ± 0.001 Å
• α: 90°
• β: 105.156 ± 0.001°
• γ: 90°
• Cell volume: 3044.4 ± 0.4 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.0178
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No