Information card for entry 4308231

Structure parameters

• Common name: (IPr)Cu(SPh)
• Formula: C36.5 H45 Cu N2 S
• Calculated formula: C33 H41 Cu N2 S
• SMILES: [Cu](Sc1ccccc1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Addition of S-H Bonds across Electron-Deficient Olefins Catalyzed by Well-Defined Copper(I) Thiolate Complexes
• Authors of publication: Samuel A. Delp; Colleen Munro-Leighton; Laurel A. Goj; Magaly A. Ramírez; T. Brent Gunnoe; Jeffrey L. Petersen; Paul D. Boyle
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2365 - 2367
• a: 9.8888 ± 0.0005 Å
• b: 17.0894 ± 0.001 Å
• c: 20.8855 ± 0.0012 Å
• α: 82.285 ± 0.001°
• β: 83.321 ± 0.001°
• γ: 89.663 ± 0.001°
• Cell volume: 3473.7 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0998
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No