Information card for entry 4111499

Structure parameters

• Formula: C26 H26 Cl N2 Rh
• Calculated formula: C26 H26 Cl N2 Rh
• SMILES: [Rh]123(Cl)(=C4N5c6ccccc6C=CC5=CN4Cc4ccccc4)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes
• Authors of publication: Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 3290 - 3291
• a: 7.1357 ± 0.0002 Å
• b: 18.8754 ± 0.0003 Å
• c: 16.0479 ± 0.0003 Å
• α: 90°
• β: 101.059 ± 0.0006°
• γ: 90°
• Cell volume: 2121.34 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0341
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for all reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections included in the refinement: 0.0266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No