Information card for entry 4065953

Structure parameters

• Formula: C31 H40 Cl N2 Rh
• Calculated formula: C31 H40 Cl N2 Rh
• SMILES: C1(N([C@@H]2C([C@](CC2)(C)N1Cc1ccccc1)(C)C)Cc1ccccc1)=[Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)Cl
• Title of publication: Metal Complexes of Chiral NHCs Containing a Fused Six- and Seven-Membered Central Ring
• Authors of publication: Newman, Paul D.; Cavell, Kingsley J.; Kariuki, Benson M.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 2724
• a: 14.2752 ± 0.0003 Å
• b: 17.6422 ± 0.0003 Å
• c: 21.555 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5428.54 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No