Information card for entry 4067754

Structure parameters

• Formula: C75 H52 B F24 O2 P2 Rh S
• Calculated formula: C75 H52 B F24.003 O2 P2 Rh S
• 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: 15.1944 ± 0.0002 Å
• b: 16.4866 ± 0.0002 Å
• c: 18.8553 ± 0.0002 Å
• α: 76.1397 ± 0.0004°
• β: 66.568 ± 0.0004°
• γ: 89.9595 ± 0.0005°
• Cell volume: 4183.85 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0524
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No