Information card for entry 4347155

Structure parameters

• Formula: C57 H68 Cu P3 S Si
• Calculated formula: C57 H68 Cu P3 S Si
• SMILES: [Cu]12(S[Si](C(C)C)(C(C)C)C(C)C)[P](CC(C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1.c1(ccccc1)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: 14.5029 ± 0.001 Å
• b: 16.15 ± 0.0011 Å
• c: 22.0822 ± 0.0015 Å
• α: 90°
• β: 93.455 ± 0.001°
• γ: 90°
• Cell volume: 5162.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No