Information card for entry 4001353

Structure parameters

• Chemical name: Tetrakis-tert-butylthiolatobistrimethylphosphinetetracopper(I)
• Formula: C22 H54 Cu4 P2 S4
• Calculated formula: C22 H54 Cu4 P2 S4
• SMILES: [Cu]1([S](C(C)(C)C)[Cu][S]([Cu]([S](C(C)(C)C)[Cu]([S]1C(C)(C)C))[P](C)(C)C)C(C)(C)C)[P](C)(C)C
• Title of publication: Copper(I)tert-Butylthiolato Clusters as Single-Source Precursors for High-Quality Chalcocite Thin Films: Precursor Chemistry in Solution and the Solid State
• Authors of publication: Schneider, Sven; Dzudza, Alma; Raudaschl-Sieber, Gabriele; Marks, Tobin J.
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 2768
• a: 10.086 ± 0.002 Å
• b: 17.585 ± 0.005 Å
• c: 10.811 ± 0.003 Å
• α: 90°
• β: 111.538 ± 0.007°
• γ: 90°
• Cell volume: 1783.6 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No