Information card for entry 7117743

Structure parameters

• Formula: C19 H31 B11 Cl11 F O2 P2 Pd
• Calculated formula: C19 H31 B11 Cl11 F O2 P2 Pd
• SMILES: [CH]1234[B]567(Cl)[B]891(Cl)[B]1%102(Cl)[B]2%113(Cl)[B]345(Cl)[B]452(Cl)[B]263([Cl][Pd]36c%12c(O[P]3(C(C)C)C(C)C)cc(F)cc%12O[P]6(C(C)C)C(C)C)[B]379([B]68%10([B]1%114(Cl)[B]5236Cl)Cl)Cl
• 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: 9.1582 ± 0.001 Å
• b: 12.0726 ± 0.0013 Å
• c: 20.864 ± 0.002 Å
• α: 76.534 ± 0.001°
• β: 88.597 ± 0.001°
• γ: 78.715 ± 0.001°
• Cell volume: 2199.5 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No