Information card for entry 4086433

Structure parameters

• Formula: C24.5 H28 Cl2 N Rh
• Calculated formula: C24.5 H28 Cl2 N Rh
• SMILES: [Rh]12345(Cl)([N](=C(c6c5cccc6)C)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.ClCCl
• Title of publication: Rhodium-Catalyzed Cyclocarbonylation of Ketimines via C‒H Bond Activation
• Authors of publication: Gao, Bao; Liu, Song; Lan, Yu; Huang, Hanmin
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 1480
• a: 16.1039 ± 0.0011 Å
• b: 15.3204 ± 0.001 Å
• c: 20.3446 ± 0.0014 Å
• α: 90°
• β: 110.539 ± 0.001°
• γ: 90°
• Cell volume: 4700.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.2428
• Weighted residual factors for all reflections included in the refinement: 0.2629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No