Information card for entry 7117738

Structure parameters

• Formula: C38 H61 B11 Cl11 F5 O7 P4 Pd2 S
• Calculated formula: C38 H61 B11 Cl11 F5 O7 P4 Pd2 S
• 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: 14.477 ± 0.014 Å
• b: 35.02 ± 0.03 Å
• c: 26.24 ± 0.03 Å
• α: 90°
• β: 92.565 ± 0.011°
• γ: 90°
• Cell volume: 13290 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• 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: 0.0465
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0875
• 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: Yes
• Has Fobs: No