Information card for entry 4084805

Structure parameters

• Common name: 1a in manuscript
• Formula: C29 H39 Cl2 N4 P Ru
• Calculated formula: C29 H39 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: 19.07 ± 0.003 Å
• b: 12.8411 ± 0.0017 Å
• c: 15.932 ± 0.002 Å
• α: 90°
• β: 109.153 ± 0.003°
• γ: 90°
• Cell volume: 3685.5 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No