Information card for entry 4346146

Structure parameters

• Common name: in manuscript 5c
• Formula: C18 H37 Cl2 N2 P Ru Si
• Calculated formula: C18 H37 Cl2 N2 P Ru Si
• SMILES: [Ru]1(Cl)(Cl)([P](N2C=1N(C=C2)C(C)C)(C(C)(C)C)C(C)(C)C)=C[Si](C)(C)C
• Title of publication: Bulky N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands: Synthesis, Ruthenium Coordination Chemistry, and Ruthenium Alkylidene Complexes for Olefin Metathesis.
• Authors of publication: Brown, Christopher C.; Rominger, Frank; Limbach, Michael; Hofmann, Peter
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 10126 - 10140
• a: 9.0506 ± 0.0003 Å
• b: 9.7152 ± 0.0003 Å
• c: 15.2604 ± 0.0004 Å
• α: 94.5103 ± 0.0015°
• β: 94.3406 ± 0.0015°
• γ: 113.348 ± 0.0013°
• Cell volume: 1219.73 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No