Information card for entry 4316182

Structure parameters

• Formula: C46 H48 Cl O0.5 P2 Rh S2
• Calculated formula: C46 H48 Cl O0.5 P2 Rh S2
• 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: 25.272 ± 0.003 Å
• b: 18.1523 ± 0.0017 Å
• c: 21.059 ± 0.004 Å
• α: 90°
• β: 119.325 ± 0.005°
• γ: 90°
• Cell volume: 8423 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No