Information card for entry 4070164

Structure parameters

• Formula: C27 H31 B F4 N2 Ru
• Calculated formula: C27 H31 B F4 N2 Ru
• Title of publication: Influence of Ion Pairing on Styrene Hydrogenation Using a Cationic η6-Arene β-Diketiminato−Ruthenium Complex
• Authors of publication: Moreno, Aitor; Pregosin, Paul S.; Laurenczy, Gábor; Phillips, Andrew D.; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 22
• Pages of publication: 6432
• a: 10.6833 ± 0.0017 Å
• b: 11.9747 ± 0.0012 Å
• c: 19.83 ± 0.003 Å
• α: 90°
• β: 96.114 ± 0.014°
• γ: 90°
• Cell volume: 2522.4 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.1764
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No