Information card for entry 4075258

Structure parameters

• Formula: C19 H37 Cu O2 Si2
• Calculated formula: C19 H37 Cu O2 Si2
• SMILES: [Cu]12(OC(=CC(=[O]1)CC(C)C)C(C)(C)C)[C]([Si](C)(C)C)#[C]2[Si](C)(C)C
• Title of publication: Copper(I) Complexes with Bis(trimethylsilyl)acetylene: Role of Ancillary Ligands in Determining π Back-Bonding Interactions
• Authors of publication: Thompson, Jeffery S.; Bradley, Alexander Z.; Park, Kyung-Ho; Dobbs, Kerwin D.; Marshall, Will
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 11
• Pages of publication: 2712
• a: 11.7663 ± 0.0015 Å
• b: 20.368 ± 0.002 Å
• c: 11.1494 ± 0.0014 Å
• α: 90°
• β: 117.044 ± 0.003°
• γ: 90°
• Cell volume: 2379.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1865
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No