Information card for entry 7038153

Structure parameters

• Formula: C74 H56 F6 O6 P4 Rh2 S2 Si2
• Calculated formula: C74 H56 F6 O6 P4 Rh2 S2 Si2
• SMILES: c12ccccc1[P](c1ccccc1)([Rh]13(OS(=O)(=O)C(F)(F)F)[Si]2(c2ccccc2[P]1(c1ccccc1)c1ccccc1)[Rh]12(OS(=O)(=O)C(F)(F)F)[P](c5c(cccc5)[Si]32c2ccccc2[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Examining the role of Rh/Si cooperation in alkene hydrogenation by a pincer-type [P2Si]Rh complex.
• Authors of publication: Whited, Matthew T.; Deetz, Alexander M.; Donnell, Theodore M.; Janzen, Daron E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9758 - 9761
• a: 13.2957 ± 0.0014 Å
• b: 13.9009 ± 0.0015 Å
• c: 20.145 ± 0.002 Å
• α: 90°
• β: 97.111 ± 0.007°
• γ: 90°
• Cell volume: 3694.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.053
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No