Information card for entry 4001354

Structure parameters

• Chemical name: Tetrakis-tert-butylthiolatobistriethylphosphinetetracopper(I)
• Formula: C28 H66 Cu4 P2 S4
• Calculated formula: C28 H66 Cu4 P2 S4
• SMILES: CC[P]([Cu]1[S]([Cu][S](C(C)(C)C)[Cu]([S](C(C)(C)C)[Cu][S]1C(C)(C)C)[P](CC)(CC)CC)C(C)(C)C)(CC)CC
• 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: 8.8065 ± 0.0006 Å
• b: 11.6863 ± 0.0008 Å
• c: 19.7851 ± 0.0014 Å
• α: 90°
• β: 96.134 ± 0.001°
• γ: 90°
• Cell volume: 2024.5 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No