Information card for entry 1543647

Structure parameters

• Formula: C74.5 H53 Cl13 O4 P2 Sb2
• Calculated formula: C74.5 H53 Cl13 O4.221 P2 Sb2
• SMILES: [Sb]1(Oc2c(O1)c(Cl)c(Cl)c(Cl)c2Cl)(c1ccccc1P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Sb]12([O]=P(c3c2cccc3)(c2ccccc2)c2ccccc2)(Oc2c(O1)c(Cl)c(Cl)c(Cl)c2Cl)(c1ccccc1)c1ccccc1.ClCCl.ClCCl.ClCCl
• 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: 11.1609 ± 0.0018 Å
• b: 16.856 ± 0.003 Å
• c: 21.036 ± 0.003 Å
• α: 105.844 ± 0.003°
• β: 94.824 ± 0.003°
• γ: 102.789 ± 0.003°
• Cell volume: 3668.3 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No