Information card for entry 4065439

Structure parameters

• Formula: C32 H48 F2.5 O3.5 P Ru S Si
• Calculated formula: C32 H48 F2.5 O3.5 P Ru S Si
• SMILES: c1(ccccc1)[Si](c1ccccc1)(OS(=O)(=O)C(F)(F)F)[RuH2]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)[P](C(C)C)(C(C)C)C(C)C
• Title of publication: Cp*(PiPr3)RuOTf: A Reagent for Access to Ruthenium Silylene Complexes
• Authors of publication: Fasulo, Meg E.; Glaser, Paul B.; Tilley, T. Don
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 5524
• a: 11.229 ± 0.005 Å
• b: 16.346 ± 0.005 Å
• c: 18.968 ± 0.005 Å
• α: 94.961 ± 0.005°
• β: 96.981 ± 0.005°
• γ: 95.277 ± 0.005°
• Cell volume: 3424 ± 2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No