Information card for entry 7111303

Structure parameters

• Formula: C40 H33 I2 N4 O2.5 Rh
• Calculated formula: C40 H29 I2 N4 O2.5 Rh
• SMILES: [Rh]12([O]=C(O1)C)=C1N(c3ccccc3N1c1ccc3ccccc3c1c1c3ccccc3ccc1N1c3ccccc3N(C=21)C)C.[I-].[I-].O1CCCC1
• 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: 17.4433 ± 0.0009 Å
• b: 17.9331 ± 0.0009 Å
• c: 27.953 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8744 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1872
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No