Information card for entry 1543651

Structure parameters

• Formula: C39.5 H18.5 Cl11.5 F10 O3 P Sb
• Calculated formula: C39.5 H18.5 Cl11.5 F10 O3 P Sb
• SMILES: [Sb]12(OC[P+](c3c2cccc3)(c2ccccc2)c2ccccc2)(Oc2c(O1)c(Cl)c(Cl)c(Cl)c2Cl)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions
• Authors of publication: Tofan, Daniel; Gabbaï, François P.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 11
• Pages of publication: 6768
• a: 13.9283 ± 0.0006 Å
• b: 13.9709 ± 0.0006 Å
• c: 14.2499 ± 0.0007 Å
• α: 102.466 ± 0.002°
• β: 110.1 ± 0.002°
• γ: 106.711 ± 0.002°
• Cell volume: 2336.4 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No