Information card for entry 4077614

Structure parameters

• Formula: C21 H54 Cu P3 S Si
• Calculated formula: C21 H54 Cu P3 S Si
• SMILES: [Cu](S[Si](C)(C)C)([P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC
• Title of publication: Synthesis and Characterization of Tris(trialkylphosphine)copper(I)trimethylsilylchalcogenolates
• Authors of publication: Tran, Diem T. T.; Corrigan, John F.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 24
• Pages of publication: 5202
• a: 11.9276 ± 0.0004 Å
• b: 13.9813 ± 0.0005 Å
• c: 18.2051 ± 0.0005 Å
• α: 90°
• β: 97.57 ± 0.0019°
• γ: 90°
• Cell volume: 3009.48 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No