Information card for entry 4071257

Structure parameters

• Common name: [RhCl(COD)(P*,kP)] (4b)
• Formula: C44 H42 Cl N O2 P Rh
• Calculated formula: C44 H42 Cl N O2 P Rh
• SMILES: [Rh]123(Cl)([P]4(Oc5c(c6c(cc5)cccc6)c5c(O4)ccc4ccccc54)N([C@H](C)c4ccccc4)[C@H](C)c4ccccc4)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: A Chiral Phosphoramidite beyond Monodentate Coordination: Secondary π-Interactions Turn a Dangling Aryl into a Two-, Four-, or Six-Electron Donor in d6and d8Complexes
• Authors of publication: Mikhel, Igor S.; Rüegger, Heinz; Butti, Pietro; Camponovo, Francesco; Huber, Dominik; Mezzetti, Antonio
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 2937
• a: 12.052 ± 0.0012 Å
• b: 12.7854 ± 0.0013 Å
• c: 23.726 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3655.9 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.037
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No