Information card for entry 7155472

Structure parameters

• Formula: C17 H14 Cl N2 O3 Rh
• Calculated formula: C17 H14 Cl N2 O3 Rh
• SMILES: Cl[Rh](=C1N2C(=C(N1C)c1ccc(OC)cc1)C=CC=C2)(C#[O])C#[O]
• 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: 11.611 ± 0.003 Å
• b: 7.436 ± 0.002 Å
• c: 20.143 ± 0.006 Å
• α: 90°
• β: 95.124 ± 0.004°
• γ: 90°
• Cell volume: 1732.2 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0459
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No