Information card for entry 4113063

Structure parameters

• Formula: C23 H40 Cl N4 Rh
• Calculated formula: C23 H40 Cl N4 Rh
• SMILES: [Rh]123(Cl)([CH]4=[CH]1CC[CH]2=[CH]3CC4)=C1N(N2[C@@H](CC[C@H]2C)C)CCN1N1[C@@H](CC[C@H]1C)C
• Title of publication: 1,3-Bis(N,N-dialkylamino)imidazolin-2-ylidenes: Synthesis and Reactivity of a New Family of Stable N-Heterocyclic Carbenes
• Authors of publication: Manuel Alcarazo; Stephen J. Roseblade; Emma Alonso; Rosario Fernández; Eleuterio Alvarez; Fernando J. Lahoz; José M. Lassaletta
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 13242 - 13243
• a: 13.2635 ± 0.001 Å
• b: 17.8218 ± 0.0014 Å
• c: 21.0178 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4968.2 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No