Information card for entry 7107230

Structure parameters

• Formula: C27 H38 F3 N O3 P Pd S Si
• Calculated formula: C27 H38 F3 N O3 P Pd S Si
• Title of publication: 'Hemilabile' silyl pincer ligation: platinum group PSiN complexes and triple C-H activation to form a (PSiC)Ru carbene complex
• Authors of publication: Adam J. Ruddy; Samuel Mitton; Robert McDonald; Laura Turculet
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1159
• a: 14.8703 ± 0.0004 Å
• b: 15.7929 ± 0.0004 Å
• c: 26.5312 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6230.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No