Information card for entry 7111304

Structure parameters

• Formula: C52 H50 I2 N4 Rh2
• Calculated formula: C52 H50 I2 N4 Rh2
• SMILES: [Rh]123(I)(=C4N(c5c(c6ccccc6cc5)c5c6ccccc6ccc5N5C(=[Rh]678(I)[CH]9=[CH]6CC[CH]7=[CH]8CC9)N(c6ccccc56)C)c5c(N4C)cccc5)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Synthesis of novel axially chiral Rh?NHC complexes derived from BINAM and application in the enantioselective hydrosilylation of methyl ketonesElectronic supplementary information (ESI) available: 13C NMR and 1H NMR spectral and analytic data for compounds 2?7, reduction products, and chiral HPLC and GC charts for sec-alcohols 9a?m. See http://www.rsc.org/suppdata/cc/b3/b309185f/
• Authors of publication: Duan, Wei-Liang; Shi, Min; Rong, Guo-Bin
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 2916
• a: 12.1794 ± 0.0019 Å
• b: 19.027 ± 0.003 Å
• c: 20.291 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4702.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1068
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No