Information card for entry 2235083

Structure parameters

• Chemical name: Bis[(diphenylphosphanylmethyl)diphenylphosphane sulfide-κ^2^<i>P</i>,<i>S</i>]copper(I) hexafluoridophosphate
• Formula: C50 H44 Cu F6 P5 S2
• Calculated formula: C50 H44 Cu F6 P5 S2
• SMILES: C1P(=[S][Cu]2([P]1(c1ccccc1)c1ccccc1)[P](CP(=[S]2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bis[(diphenylphosphanylmethyl)diphenylphosphane sulfide-κ^2^<i>P</i>,<i>S</i>]copper(I) hexafluoridophosphate
• Authors of publication: Zhang, Jing-Jing; Hu, Feng; Duan, Tai-Ke; Chen, Qun; Zhang, Qian-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m841
• a: 20.73 ± 0.03 Å
• b: 12.004 ± 0.018 Å
• c: 19.83 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4935 ± 13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No