Information card for entry 7116883

Structure parameters

• Formula: C60 H58 B F24 P3 Pd
• Calculated formula: C60 H58 B F24 P3 Pd
• Title of publication: Frustrated Lewis pair-like reactions of nucleophilic palladium carbenes with B(C6F5)3
• Authors of publication: Peng Cui; Cezar C. Comanescu; Vlad M. Iluc
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 6206
• a: 13.1862 ± 0.0003 Å
• b: 12.7167 ± 0.0003 Å
• c: 37.1231 ± 0.0008 Å
• α: 90°
• β: 94.967 ± 0.0009°
• γ: 90°
• Cell volume: 6201.6 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No