Information card for entry 4325140

Structure parameters

• Common name: tris(triethylphosphino)-copper-phenylthiolate
• Chemical name: phenylsulfido-tris(triethylphosphine)-copper
• Formula: C24 H50 Cu P3 S
• Calculated formula: C24 H50 Cu P3 S
• SMILES: [Cu](Sc1ccccc1)([P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC
• Title of publication: Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding
• Authors of publication: Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4742 - 4752
• a: 16.5501 ± 0.001 Å
• b: 10.9479 ± 0.0009 Å
• c: 15.9208 ± 0.001 Å
• α: 90°
• β: 95.958 ± 0.005°
• γ: 90°
• Cell volume: 2869.1 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No