Information card for entry 7119986

Structure parameters

• Formula: C43 H56 F6 N5 O4 Rh Sb
• Calculated formula: C43 H56 F6 N5 O4 Rh Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Rh]123(Oc4c([N]2=CC(=CN3c2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)N(=O)=O)cc(cc4C(C)(C)C)C(C)(C)C)([NH2]c1ccccc1)[NH2]c1ccccc1
• Title of publication: Catalytic C-H amination driven by intramolecular ligand-to-nitrene one-electron transfer through a rhodium(iii) centre.
• Authors of publication: Fujita, Daiki; Sugimoto, Hideki; Shiota, Yoshihito; Morimoto, Yuma; Yoshizawa, Kazunari; Itoh, Shinobu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 35
• Pages of publication: 4849 - 4852
• a: 18.6161 ± 0.001 Å
• b: 11.3161 ± 0.0007 Å
• c: 21.2379 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4474 ± 0.5 ų
• Cell temperature: 85 K
• Ambient diffraction temperature: 85 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No