Information card for entry 4316185

Structure parameters

• Chemical name: cis-[k2-(Ph2PCH2CH2S(2,3,5,6-F4-C6H1))-k1-(Ph2PCH2CH2S(2,3,5,6-F4-C6H1)) ClRh]
• Formula: C40 H30 Cl F8 P2 Rh S2
• Calculated formula: C40 H30 Cl F8 P2 Rh S2
• SMILES: [Rh]1(Cl)([S](CC[P]1(c1ccccc1)c1ccccc1)c1c(F)c(F)cc(F)c1F)[P](CCSc1c(F)c(F)cc(F)c1F)(c1ccccc1)c1ccccc1
• 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: 11.524 ± 0.0001 Å
• b: 11.6278 ± 0.0001 Å
• c: 14.0565 ± 0.0001 Å
• α: 94.751 ± 0.001°
• β: 100.178 ± 0.001°
• γ: 90.43°
• Cell volume: 1847.07 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No