Information card for entry 4305362

Structure parameters

• Common name: [Rh(BTSE)(1,10-phenanthroline)][PF6]
• Chemical name: [Rh(BTSE)(1,10-phenanthroline)][PF6] 14
• Formula: C22.5 H31 Cl F6 N2 O2 P Rh S2
• Calculated formula: C22.5 H31 Cl F6 N2 O2 P Rh S2
• 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: 13.6477 ± 0.001 Å
• b: 10.7513 ± 0.0006 Å
• c: 20.2994 ± 0.0016 Å
• α: 90°
• β: 109.557 ± 0.009°
• γ: 90°
• Cell volume: 2806.7 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 9
• 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: 0.0412
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No