Information card for entry 4001357

Structure parameters

• Chemical name: Octakis-tert-butylthiolatobistrimethylphosphineoctacopper(I)
• Formula: C52 H106 Cu8 P2 S8
• Calculated formula: C52 H106 Cu8 P2 S8
• SMILES: C(C)(C)(C)[S]12[Cu]34[Cu]567[Cu]([S]6C(C)(C)C)[S]6(C(C)(C)C)[Cu]([P](C)(C)C)([S]45C(C)(C)C)[S](C(C)(C)C)([Cu][S](C(C)(C)C)[Cu]13[S](C(C)(C)C)[Cu][S]7C(C)(C)C)[Cu]26[P](C)(C)C.c1ccccc1
• 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: 14.509 ± 0.002 Å
• b: 14.509 ± 0.002 Å
• c: 19.946 ± 0.003 Å
• α: 77.194 ± 0.002°
• β: 77.194 ± 0.002°
• γ: 61.54°
• Cell volume: 3566.5 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0421
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No