Information card for entry 4325153

Structure parameters

• Common name: bis(tritertbutylphosphino-copper-phenylthiolate)
• Chemical name: bis(μ~2~-phenylsulfido)-bis(tritertbutylphosphine)-di-copper
• Formula: C36 H64 Cu2 P2 S2
• Calculated formula: C36 H64 Cu2 P2 S2
• SMILES: [Cu]12([Cu]([S]1c1ccccc1)([S]2c1ccccc1)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• 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: 13.0681 ± 0.0007 Å
• b: 25.049 ± 0.0011 Å
• c: 13.1012 ± 0.0008 Å
• α: 90°
• β: 113.356 ± 0.004°
• γ: 90°
• Cell volume: 3937.2 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0312
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No