Information card for entry 4071258

Structure parameters

• Common name: [Rh(NBD)(1,2-eta-P*,kP)]SbF6 (5a)
• Formula: C43 H38 F6 N O2 P Rh Sb
• Calculated formula: C43 H38 F6 N O2 P Rh Sb
• SMILES: [Rh]12345([P]6(Oc7c(c8ccccc8cc7)c7c8ccccc8ccc7O6)N([C@@H](C)[C]64=CC=CC=[CH]56)[C@@H](C)c4ccccc4)[CH]4=[CH]1C1[CH]2=[CH]3C4C1.[Sb](F)(F)(F)(F)(F)[F-]
• 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: 11.2449 ± 0.0006 Å
• b: 15.0329 ± 0.0008 Å
• c: 22.3759 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3782.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No