Information card for entry 4071256

Structure parameters

• Common name: [RhCl(NBD)(P*,kP)] (4a)
• Formula: C43 H38 Cl N O2 P Rh
• Calculated formula: C43 H38 Cl N O2 P Rh
• SMILES: [Rh]123(Cl)([P]4(N([C@H](C)c5ccccc5)[C@H](C)c5ccccc5)Oc5c(c6ccccc6cc5)c5c6ccccc6ccc5O4)[CH]4=[CH]1C1[CH]2=[CH]3C4C1
• 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: 9.052 ± 0.0005 Å
• b: 11.3595 ± 0.0006 Å
• c: 34.266 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3523.4 ± 0.3 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: 0.0301
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No