Information card for entry 4112182

Structure parameters

• Formula: C28 H33 Cl N Rh
• Calculated formula: C28 H33 Cl N Rh
• SMILES: C(c1c2c(cc3c1cccc3)cccc2)(N(C)C(C)(C)C)=[Rh]123(Cl)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Amino-Aryl-Carbenes: Alternative Ligands for Transition Metals?
• Authors of publication: Xavier Cattoën; Heinz Gornitzka; Didier Bourissou; Guy Bertrand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1342 - 1343
• a: 11.154 ± 0.003 Å
• b: 14.84 ± 0.003 Å
• c: 14.405 ± 0.003 Å
• α: 90°
• β: 94.718 ± 0.004°
• γ: 90°
• Cell volume: 2376.3 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No