Information card for entry 4067053

Structure parameters

• Common name: jonll61
• Formula: C23 H25 Cl N Rh
• Calculated formula: C23 H25 Cl N Rh
• SMILES: [Rh]12345(Cl)([n]6c(c7c(C=C1)cccc7)cccc6)[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: 8.4386 ± 0.0017 Å
• b: 14.676 ± 0.003 Å
• c: 16.346 ± 0.003 Å
• α: 78.351 ± 0.004°
• β: 81.627 ± 0.004°
• γ: 90.045 ± 0.004°
• Cell volume: 1960.6 ± 0.7 ų
• Cell temperature: 193 ± 0.5 K
• Ambient diffraction temperature: 193 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No