Information card for entry 4307393

Structure parameters

• Formula: C49 H58 Cl12 Cu P3 S Si
• Calculated formula: C49 H58 Cl12 Cu P3 S Si
• SMILES: [Cu](S[Si](C)(C)C)([P](c1ccccc1)(c1ccccc1)CC)([P](c1ccccc1)(c1ccccc1)CC)[P](c1ccccc1)(c1ccccc1)CC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: New Copper and Silver Trimethylsilylchalcogenolates
• Authors of publication: Aneta Borecki; John F. Corrigan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2478 - 2484
• a: 14.636 ± 0.0005 Å
• b: 23.7333 ± 0.0003 Å
• c: 17.3278 ± 0.0005 Å
• α: 90°
• β: 97.851 ± 0.001°
• γ: 90°
• Cell volume: 5962.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.098
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1797
• 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