Information card for entry 4084806

Structure parameters

• Common name: 2b in manuscript
• Formula: C37 H47 Cl2 N4 P Ru
• Calculated formula: C37 H47 Cl2 N4 P Ru
• Title of publication: Unexpected Reactivity Patterns of Ruthenium Alkylidenes with N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands (NHCPs)
• Authors of publication: Brown, Christopher C.; Plessow, Philipp N.; Rominger, Frank; Limbach, Michael; Hofmann, Peter
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 23
• Pages of publication: 6754
• a: 8.9978 ± 0.0006 Å
• b: 14.2563 ± 0.001 Å
• c: 14.5573 ± 0.0011 Å
• α: 105.448 ± 0.001°
• β: 93.863 ± 0.001°
• γ: 100.488 ± 0.001°
• Cell volume: 1756.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No