Information card for entry 4075259

Structure parameters

• Formula: C21 H43 Cu N2 Si2
• Calculated formula: C21 H43 Cu N2 Si2
• SMILES: [Cu]12(N(C(=CC(=[N]1CC(C)C)C)C)CC(C)C)[C](#[C]2[Si](C)(C)C)[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: 11.502 ± 0.002 Å
• b: 17.021 ± 0.003 Å
• c: 6.957 ± 0.0014 Å
• α: 96.2 ± 0.03°
• β: 103 ± 0.03°
• γ: 89.58 ± 0.03°
• Cell volume: 1319.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No