Information card for entry 4347156

Structure parameters

• Formula: C43 H42 Cu O P3 S2
• Calculated formula: C43 H42 Cu O P3 S2
• SMILES: [Cu]12(SC(=S)OC)[P](c3ccccc3)(c3ccccc3)CC(C[P]2(c2ccccc2)c2ccccc2)(C[P]1(c1ccccc1)c1ccccc1)C
• Title of publication: Synthesis and Structures of [LCu(I)(SSi(i)Pr3)] (L = triphos, carbene) and Related Compounds.
• Authors of publication: Ferrara, Skylar J.; Wang, Bo; Haas, Elaine; Wright LeBlanc, Karry; Mague, Joel T.; Donahue, James P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 18
• Pages of publication: 9173 - 9177
• a: 9.9391 ± 0.0013 Å
• b: 17.044 ± 0.002 Å
• c: 12.5225 ± 0.0016 Å
• α: 90°
• β: 111.329 ± 0.002°
• γ: 90°
• Cell volume: 1976 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No