Information card for entry 4067184

Structure parameters

• Formula: C53 H63 Cl P3 Rh S
• Calculated formula: C53 H63 Cl P3 Rh S
• SMILES: C(CCSc1ccccc1)[P](C1CCCCC1)(C1CCCCC1)[Rh]1([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl.c1ccccc1
• 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: 21.157 ± 0.005 Å
• b: 11.1451 ± 0.0013 Å
• c: 21.833 ± 0.004 Å
• α: 90°
• β: 107.831 ± 0.017°
• γ: 90°
• Cell volume: 4900.9 ± 1.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No