Information card for entry 4067185

Structure parameters

• Formula: C29 H33 F6 P2 Rh S
• Calculated formula: C29 H33 F6 P2 Rh S
• SMILES: C1CC[P](c2ccccc2)(c2ccccc2)[Rh]345([CH]2=[CH]3CC[CH]4=[CH]5CC2)[S]1c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: On the Reactivity of Rhodium(I) Complexes with κP-Coordinated γ-Phosphino-Functionalized Propyl Phenyl Sulfide Ligands: Routes to Cyclic Rhodium Complexes with κC,κP- and κP,κS-Coordinated Ligands as Well as Bis(diphenylphosphino)methanide Ligands
• Authors of publication: Block, Michael; Kluge, Tim; Bette, Martin; Schmidt, Jürgen; Steinborn, Dirk
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 24
• Pages of publication: 6749
• a: 9.6976 ± 0.0007 Å
• b: 15.7258 ± 0.0011 Å
• c: 19.2429 ± 0.0016 Å
• α: 90°
• β: 97.177 ± 0.009°
• γ: 90°
• Cell volume: 2911.6 ± 0.4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No