Information card for entry 4067055

Structure parameters

• Common name: jonll66
• Formula: C24 H30 Cl N O2 Rh
• Calculated formula: C24 H30 Cl N O2 Rh
• SMILES: [Rh]12345678([c]9([c]4(NC)[c]43[c]2([c]19C)cccc4)C(=O)OCC)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.[Cl-]
• 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: 15.3248 ± 0.0014 Å
• b: 13.1132 ± 0.0012 Å
• c: 12.2913 ± 0.0011 Å
• α: 90°
• β: 117.318 ± 0.002°
• γ: 90°
• Cell volume: 2194.6 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No