Information card for entry 7103353

Structure parameters

• Formula: C40 H12 Cu4 F20 S4
• Calculated formula: C40 H12 Cu4 F20 S4
• SMILES: [c]12(c(c(c(c(c1F)F)F)F)F)[Cu]13[c]4(c(c(F)c(c(c4F)F)F)F)[Cu]451[c]1(c(c(c(c(c1F)F)F)F)F)[Cu]14[c]4(c(c(F)c(c(c4F)F)F)F)[Cu]2351.c1sc(cc1)c1sccc1.c1sc(cc1)c1sccc1
• Title of publication: Binary stacks of [CuC6F5]4 with arenes.
• Authors of publication: Doshi, Ami; Venkatasubbaiah, Krishnan; Rheingold, Arnold L; Jäkle, Frieder
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 36
• Pages of publication: 4264 - 4266
• a: 11.8629 ± 0.0015 Å
• b: 6.387 ± 0.0008 Å
• c: 26.727 ± 0.003 Å
• α: 90°
• β: 97.69 ± 0.002°
• γ: 90°
• Cell volume: 2006.8 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.0352
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No