Information card for entry 4127101

Structure parameters

• Chemical name: Pentamethylcyclopentadienyl-chloro-C,N-(N-phenylbenzene-2-yl-carboximidamide)- rhodium(iii) dichloromethane solvate
• Formula: C24 H28 Cl3 N2 Rh
• Calculated formula: C24 H28 Cl3 N2 Rh
• SMILES: c12ccccc1C(=[N](c1ccccc1)[Rh]13452([c]2([c]5([c]4([c]3([c]12C)C)C)C)C)Cl)N.C(Cl)Cl
• 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: 11.506 ± 0.006 Å
• b: 9.469 ± 0.005 Å
• c: 22.8 ± 0.012 Å
• α: 90°
• β: 96.645 ± 0.009°
• γ: 90°
• Cell volume: 2467 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No