Information card for entry 2220576

Structure parameters

• Chemical name: <i>catena</i>-Poly[copper(I)-bis(μ-trifluoromethanesulfonato- κ^2^<i>O</i>:<i>O</i>')-copper(I)-bis(μ-trimethyl trithiophosphite)-κ^2^<i>P</i>:<i>S</i>;κ^2^<i>S</i>:<i>P</i>]
• Formula: C8 H18 Cu2 F6 O6 P2 S8
• Calculated formula: C8 H18 Cu2 F6 O6 P2 S8
• SMILES: [Cu]12([S](C)[P](SC)(SC)[Cu]3([S]([P]1(SC)SC)C)[O]=S(=O)(C(F)(F)F)O[Cu][O]=S(O3)(=O)C(F)(F)F)[O]=S(=O)(C(F)(F)F)O[Cu]([O]=S(O2)(=O)C(F)(F)F)([S](P(SC)SC)C)[P](SC)(SC)SC
• Title of publication: <i>catena</i>-Poly[copper(I)-bis(μ-trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')-copper(I)-bis(μ-trimethyl trithiophosphite)-κ^2^<i>P</i>:<i>S</i>;κ^2^<i>S</i>:<i>P</i>]
• Authors of publication: Strasser, Christoph E.; Cronje, Stephanie; Raubenheimer, Helgard G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m86
• a: 8.8347 ± 0.0015 Å
• b: 18.306 ± 0.003 Å
• c: 8.1731 ± 0.0014 Å
• α: 90°
• β: 102.674 ± 0.003°
• γ: 90°
• Cell volume: 1289.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0326
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes