Information card for entry 7155477

Structure parameters

• Formula: C18 H12 Cl N2 O2 Rh
• Calculated formula: C18 H12 Cl N2 O2 Rh
• SMILES: [Rh](Cl)(C#[O])(C#[O])=C1N(C(=C2N1C=CC=C2)C#Cc1ccccc1)C
• 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: 7.0475 ± 0.0015 Å
• b: 9.2569 ± 0.0018 Å
• c: 14.015 ± 0.003 Å
• α: 95.006 ± 0.002°
• β: 104.313 ± 0.0019°
• γ: 101.011 ± 0.003°
• Cell volume: 860.9 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No