Information card for entry 4067047

Structure parameters

• Common name: jonyj01
• Formula: C20 H27 Cl N Rh
• Calculated formula: C20 H27 Cl N Rh
• SMILES: [Rh]12345(Cl)([N](=Cc6c(C1C)cccc6)C)[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: 7.5294 ± 0.001 Å
• b: 8.7262 ± 0.0011 Å
• c: 15.273 ± 0.002 Å
• α: 90.179 ± 0.002°
• β: 95.679 ± 0.002°
• γ: 115.261 ± 0.002°
• Cell volume: 901.9 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0423
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No