Information card for entry 4111502

Structure parameters

• Formula: C30 H40 F6 N4 P Rh
• Calculated formula: C30 H40 F6 N4 P Rh
• SMILES: [Rh]123(=c4n5ccccc5cn4C(C)(C)C)(=c4n5ccccc5cn4C(C)(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4.[P](F)(F)(F)(F)(F)[F-]
• 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: 16.2854 ± 0.0002 Å
• b: 12.0729 ± 0.0002 Å
• c: 16.4613 ± 0.0003 Å
• α: 90°
• β: 109.007 ± 0.0005°
• γ: 90°
• Cell volume: 3060.03 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0332
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0275
• Weighted residual factors for all reflections included in the refinement: 0.0275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0679
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No