Information card for entry 4112748

Structure parameters

• Formula: C19 H35 Cl N Rh
• Calculated formula: C19 H35 Cl N Rh
• SMILES: [Rh]123(Cl)(=C(N(C(C)C)C(C)C)C(C)(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Synthesis, Reactivity, and Ligand Properties of a Stable Alkyl Carbene
• Authors of publication: Vincent Lavallo; John Mafhouz; Yves Canac; Bruno Donnadieu; Wolfgand W. Schoeller; Guy Bertrand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 8670 - 8671
• a: 15.054 ± 0.004 Å
• b: 15.617 ± 0.004 Å
• c: 17.04 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4006.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No