Information card for entry 4068645

Structure parameters

• Formula: C34.5 H38.5 F4 N2 O6 Rh S2
• Calculated formula: C34.5 H38.5 F4 N2 O6 Rh S2
• Title of publication: Reactivity, Structures, and NMR Spectroscopy of Half-Sandwich Pentamethylcyclopentadienyl Rhodium Amido Complexes Relevant to Transfer Hydrogenation
• Authors of publication: Blacker, A. John; Duckett, Simon B.; Grace, Jake; Perutz, Robin N.; Whitwood, Adrian C.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1435
• a: 12.286 ± 0.005 Å
• b: 12.454 ± 0.005 Å
• c: 13.377 ± 0.005 Å
• α: 107.266 ± 0.007°
• β: 113.603 ± 0.007°
• γ: 97.27 ± 0.007°
• Cell volume: 1719.2 ± 1.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No