Information card for entry 4316184

Structure parameters

• Chemical name: cis-[k2-(Ph2PCH2CH2S(4-F1-C6H4))-k1-(Ph2PCH2CH2S(4-F1-C6H4))ClRh]
• Formula: C40 H36 Cl F2 P2 Rh S2
• Calculated formula: C40 H36 Cl F2 P2 Rh S2
• SMILES: [Rh]1(Cl)([S](c2ccc(F)cc2)CC[P]1(c1ccccc1)c1ccccc1)[P](CCSc1ccc(F)cc1)(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: 11.212 ± 0.0001 Å
• b: 16.6896 ± 0.0002 Å
• c: 19.2588 ± 0.0002 Å
• α: 90°
• β: 99.937 ± 0.001°
• γ: 90°
• Cell volume: 3549.72 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No