Information card for entry 4105672

Structure parameters

• Formula: C52 H72 Cl2 N2 P2 Rh2
• Calculated formula: C52 H72 Cl2 N2 P2 Rh2
• SMILES: CN(C)c1ccc[cH]2[c]31c1ccccc1[P](C1CCCCC1)(C1CCCCC1)[Rh]123[Cl][Rh]23([cH]4cccc([c]24c2ccccc2[P]3(C2CCCCC2)C2CCCCC2)N(C)C)[Cl]1
• Title of publication: Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes
• Authors of publication: Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 2772 - 2782
• a: 15.243 ± 0.003 Å
• b: 16.582 ± 0.004 Å
• c: 19.241 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4863.3 ± 1.8 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No