Information card for entry 4067186

Structure parameters

• Formula: C50 H62 O P3 Rh S
• Calculated formula: C50 H62 O P3 Rh S
• SMILES: C1CC[S](c2ccccc2)[Rh]2([P]1(C1CCCCC1)C1CCCCC1)P1(c3ccccc3)(c3ccccc3)=C[P]21(c1ccccc1)c1ccccc1.C1CCCO1
• 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: 23.355 ± 0.0012 Å
• b: 10.0885 ± 0.0007 Å
• c: 20.2637 ± 0.001 Å
• α: 90°
• β: 107.115 ± 0.004°
• γ: 90°
• Cell volume: 4563 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No