Information card for entry 4113061

Structure parameters

• Formula: C35 H48 Cl N4 O2 Rh
• Calculated formula: C35 H48 Cl N4 O2 Rh
• SMILES: [Rh]123(Cl)(=C4N(N5[C@H](CCC5)COC)[C@H]([C@@H](N4N4[C@H](CCC4)COC)c4ccccc4)c4ccccc4)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• 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: 9.7983 ± 0.001 Å
• b: 9.4257 ± 0.001 Å
• c: 17.9186 ± 0.0019 Å
• α: 90°
• β: 92.743 ± 0.002°
• γ: 90°
• Cell volume: 1653 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No