Information card for entry 4109434

Structure parameters

• Formula: C39 H50 N P Ru Si
• Calculated formula: C39 H50 N P Ru Si
• SMILES: [RuH]123456([Si](C7([P]1(C(C)C)C(C)C)C(=Cc1ccccc71)N(C2)C)(c1ccccc1)c1ccccc1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Remarkably Facile and Reversible Ru-C(sp3) Bond Cleavage to Give a Reactive 16-Electron Cp*Ru(κ2-P,Carbene) Zwitterion
• Authors of publication: Matthew A. Rankin; Gabriele Schatte; Robert McDonald; Mark Stradiotto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 6390 - 6391
• a: 9.487 ± 0.0017 Å
• b: 11.844 ± 0.002 Å
• c: 16.851 ± 0.004 Å
• α: 98.505 ± 0.01°
• β: 101.4 ± 0.008°
• γ: 107.029 ± 0.009°
• Cell volume: 1731.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0964
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No