Information card for entry 4074452

Structure parameters

• Formula: C46 H45 F6 N3 Rh Sb
• Calculated formula: C46 H45 F6 N3 Rh Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Rh]123([n]4cc5c(cc4)cccc5)(=C4N([C@H]([C@@H](N4c4c(cccc4)C)c4ccccc4)c4ccccc4)c4c(cccc4)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Stereodynamics and Asymmetric Hydrosilylation with Chiral Rhodium Complexes Containing a Monodentate N-Heterocyclic Carbene
• Authors of publication: Faller, J. W.; Fontaine, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 25
• Pages of publication: 5887
• a: 9.8459 ± 0.0003 Å
• b: 18.3293 ± 0.0006 Å
• c: 11.4953 ± 0.0003 Å
• α: 90°
• β: 90.785 ± 0.002°
• γ: 90°
• Cell volume: 2074.34 ± 0.11 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections: 1.835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.91
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No