Information card for entry 4067751

Structure parameters

• Formula: C62 H45 B F24 N O P2 Rh
• Calculated formula: C62 H45 B F24 N O P2 Rh
• SMILES: [RhH2]12([P](CC[O]2CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[N]#CC.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Controlling Selectivity in Intermolecular Alkene or Aldehyde Hydroacylation Reactions Catalyzed by {Rh(L2)}+Fragments
• Authors of publication: Pawley, Rebekah J.; Moxham, Gemma L.; Dallanegra, Romaeo; Chaplin, Adrian B.; Brayshaw, Simon K.; Weller, Andrew S.; Willis, Michael C.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1717
• a: 12.9992 ± 0.0001 Å
• b: 15.1677 ± 0.0001 Å
• c: 18.2568 ± 0.0002 Å
• α: 107.594 ± 0.0004°
• β: 98.7135 ± 0.0004°
• γ: 99.363 ± 0.0006°
• Cell volume: 3307.59 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1413
• 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: Yes
• Has Fobs: No