Information card for entry 4088696

Structure parameters

• Formula: C56 H54 Cl4 N2 P2 Rh2
• Calculated formula: C56 H54 Cl4 N2 P2 Rh2
• SMILES: c1ccc2C(C(C)C)=[NH][Rh]3(c2c1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([Cl][Rh]1(c2c(C(C(C)C)=[NH]1)cccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([Cl]3)Cl)Cl
• Title of publication: C‒H Activation Induced by Oxidative Addition of N‒O Bonds in Oxime Esters: Formation of Rhodacycles and Cycloaddition with Alkynes
• Authors of publication: Shimbayashi, Takuya; Okamoto, Kazuhiro; Ohe, Kouichi
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 2026
• a: 26.6329 ± 0.001 Å
• b: 16.7211 ± 0.0016 Å
• c: 11.7832 ± 0.0004 Å
• α: 90°
• β: 101.743 ± 0.008°
• γ: 90°
• Cell volume: 5137.6 ± 0.6 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No