Information card for entry 7117742

Structure parameters

• Formula: C20 H31 B11 Cl10 F4 O5 P2 Pd S
• Calculated formula: C20 H31 B11 Cl10 F4 O5 P2 Pd S
• SMILES: [Pd]12([P](Oc3c1c(O[P]2(C(C)C)C(C)C)cc(F)c3)(C(C)C)C(C)C)[O]=S(O[B]1234[B]567([B]89%10([B]%11%12%13([B]%14%15%16(Cl)[B]%17%18%19([B]58(Cl)([CH]%10%13%15%17)[B]47%19([B]3%16%18([B]2%12%14([B]169%11Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)(=O)C(F)(F)F
• Title of publication: Triflyloxy-substituted carboranes as useful weakly coordinating anions
• Authors of publication: Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14034
• a: 12.224 ± 0.003 Å
• b: 13.31 ± 0.003 Å
• c: 14.337 ± 0.004 Å
• α: 72.268 ± 0.002°
• β: 74.431 ± 0.003°
• γ: 78.566 ± 0.003°
• Cell volume: 2123 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No