Information card for entry 4127100

Structure parameters

• Chemical name: pentamethylcyclopentadienyl-C,C,N-(1-(N-phenylbenzene-2-yl-(-carboximidamide)- 1,1-di(4-methoxyphenyl)-methyl)-rhodium(iii) hexaflurorantimonate(vi) dichloromethane solvate
• Formula: C39 H42 Cl2 F6 N2 O2 Rh Sb
• Calculated formula: C39 H42 Cl2 F6 N2 O2 Rh Sb
• Title of publication: Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.
• Authors of publication: Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 13.991 ± 0.002 Å
• b: 19.61 ± 0.003 Å
• c: 14.167 ± 0.002 Å
• α: 90°
• β: 99.514 ± 0.003°
• γ: 90°
• Cell volume: 3833.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0724
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No