Information card for entry 7117741

Structure parameters

• Formula: C26 H36 B11 Br Cl10 F4 O5 P2 Pd S
• Calculated formula: C26 H36 B11 Br Cl10 F4 O5 P2 Pd S
• SMILES: [Pd]12([Br]c3ccccc3)[P](Oc3c1c(O[P]2(C(C)C)C(C)C)cc(F)c3)(C(C)C)C(C)C.Cl[B]1234[B]567(Cl)[B]89%10(Cl)[B]%11%12%13([B]%141(Cl)([B]1%15%12([B]%129%11([B]968([B]625(Cl)[B]3%141(Cl)[B]%15%1296OS(=O)(=O)C(F)(F)F)Cl)Cl)Cl)[CH]47%10%13)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: 14.099 ± 0.006 Å
• b: 12.676 ± 0.005 Å
• c: 28.345 ± 0.012 Å
• α: 90°
• β: 102.072 ± 0.005°
• γ: 90°
• Cell volume: 4954 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No