Information card for entry 7103354

Structure parameters

• Formula: C34 H8 Cu4 F20
• Calculated formula: C34 H8 Cu4 F20
• SMILES: [c]12(c(c(F)c(c(F)c1F)F)F)[Cu]13[c]4(c(c(c(c(c4F)F)F)F)F)[Cu]453[c]3(c(c(F)c(c(F)c3F)F)F)[Cu]34[c]4(c(c(c(c(c4F)F)F)F)F)[Cu]2153.c1cccc2c1cccc2
• 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: 9.277 ± 0.0011 Å
• b: 9.2816 ± 0.001 Å
• c: 10.6576 ± 0.0011 Å
• α: 69.563 ± 0.003°
• β: 72.278 ± 0.002°
• γ: 74.354 ± 0.003°
• Cell volume: 805.27 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No