Information card for entry 7714866

Structure parameters

• Formula: C27 H27 F6 N5 P Rh
• Calculated formula: C27 H27 F6 N5 P Rh
• Title of publication: A rhodium(II)/rhodium(III) redox couple for C-H bond amination with alkylazides: a rhodium(III)-nitrenoid intermediate with a tetradentate [14]-macrocyclic ligand.
• Authors of publication: Sugimoto, Hideki; Sakaida, Megumu; Shiota, Yoshihito; Miyanishi, Mayuko; Morimoto, Yuma; Yoshizawa, Kazunari; Itoh, Shinobu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 1607 - 1615
• a: 13.4897 ± 0.0013 Å
• b: 20.8788 ± 0.0018 Å
• c: 18.4267 ± 0.0019 Å
• α: 90°
• β: 98.183 ± 0.007°
• γ: 90°
• Cell volume: 5137 ± 0.9 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 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: 0.0872
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No