Information card for entry 4071286

Structure parameters

• Common name: [RhCl(1,5-COD)(phosphoramidite)]
• Formula: C45 H44 Cl3 N O2 P Rh
• Calculated formula: C45 H44 Cl3 N O2 P Rh
• SMILES: [Rh]123(Cl)([P]4(Oc5c(c6ccccc6cc5)c5c(O4)ccc4ccccc54)N([C@@H](C)c4ccccc4)[C@@H](C)c4ccccc4)[CH]4=[CH]1CC[CH]2=[CH]3CC4.C(Cl)Cl
• Title of publication: Multinuclear NMR, X-ray, and DFT Studies on RhCl(diene)(phosphoramidite) Complexes
• Authors of publication: Filipuzzi, Serena; Männel, Elisabeth; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia; Veiros, Luis F.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 18
• Pages of publication: 4580
• a: 11.234 ± 0.0017 Å
• b: 11.493 ± 0.003 Å
• c: 15.8389 ± 0.0013 Å
• α: 90°
• β: 103.231 ± 0.004°
• γ: 90°
• Cell volume: 1990.7 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No