Information card for entry 4067050

Structure parameters

• Common name: jonll09
• Formula: C19 H23 Cl N O Rh
• Calculated formula: C19 H23 Cl N O Rh
• SMILES: [Rh]12345(Cl)(C(=O)c6ccccc6C=[N]1C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Reactivity and Regioselectivity of Insertion of Unsaturated Molecules into M−C (M = Ir, Rh) Bonds of Cyclometalated Complexes
• Authors of publication: Li, Ling; Jiao, Yunzhe; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4593
• a: 14.9391 ± 0.0013 Å
• b: 8.3631 ± 0.0007 Å
• c: 14.2215 ± 0.0012 Å
• α: 90°
• β: 97.611 ± 0.001°
• γ: 90°
• Cell volume: 1761.1 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No