Information card for entry 4127103

Structure parameters

• Chemical name: pentamethylcyclopentadienyl-1,1-bis(4-dimethylamino-phenyl)-methylidenyl- dichloro-dirhodium
• Formula: C27 H35 Cl2 N2 Rh
• Calculated formula: C27 H35 Cl2 N2 Rh
• SMILES: C(c1ccc(cc1)N(C)C)(c1ccc(cc1)N(C)C)=[Rh]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)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: 12.019 ± 0.004 Å
• b: 17.353 ± 0.006 Å
• c: 12.382 ± 0.004 Å
• α: 90°
• β: 108.324 ± 0.007°
• γ: 90°
• Cell volume: 2451.5 ± 1.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No