Information card for entry 4305365

Structure parameters

• Common name: [Rh(BTSE)2][PF6]
• Chemical name: [Rh(BTSE)2][PF6] 3
• Formula: C23 H50 F6 O5 P Rh S4
• Calculated formula: C23 H50 F6 O5 P Rh S4
• Title of publication: Synthesis, Structure, and Reactivity of Rhodium and Iridium Complexes of the Chelating Bis-Sulfoxide tBuSOC2H4SOtBu. Selective O-H Activation of 2-Hydroxy-isopropyl-pyridine
• Authors of publication: Thomas Schaub; Yael Diskin-Posner; Udo Radius; David Milstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6502 - 6512
• a: 12.6747 ± 0.0002 Å
• b: 22.5346 ± 0.0003 Å
• c: 24.0876 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6879.88 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0818
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No