Information card for entry 7155475

Structure parameters

• Formula: C19 H11 Cl F3 N2 O2 Rh
• Calculated formula: C19 H11 Cl F3 N2 O2 Rh
• SMILES: [Rh](Cl)(C#[O])(C#[O])=C1N2C(=C(N1C)C#Cc1ccc(cc1)C(F)(F)F)C=CC=C2
• Title of publication: Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.
• Authors of publication: Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 1810 - 1820
• a: 7.168 ± 0.004 Å
• b: 9.002 ± 0.005 Å
• c: 15.02 ± 0.008 Å
• α: 76.479 ± 0.014°
• β: 80.476 ± 0.018°
• γ: 81.147 ± 0.016°
• Cell volume: 922.6 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No