Information card for entry 4316186

Structure parameters

• Chemical name: [(Ph2PCH2CH2SPh)2Rh][Cl]
• Formula: C43 H51 Cl0.5 O2 P Rh0.5 S
• Calculated formula: C43 H51 Cl0.5 O2 P Rh0.5 S
• Title of publication: Solvent and Temperature Induced Switching Between Structural Isomers of RhI Phosphinoalkyl Thioether (PS) Complexes
• Authors of publication: Michael J. Wiester; Adam B. Braunschweig; Hyojong Yoo; Chad A. Mirkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7188 - 7196
• a: 15.127 ± 0.004 Å
• b: 17.983 ± 0.004 Å
• c: 28.704 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7808 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No