Information card for entry 7702522

Structure parameters

• Formula: C29.5 H33 Cl F3 N O5 P Re S2
• Calculated formula: C29.5 H33 Cl F3 N O5 P Re S2
• Title of publication: Synthesis, structure, and interconversion of chiral rhenium oxygen- and sulfur-bound sulfoxide complexes of formula [(η5-C5H5)Re(NO)(PPh3)(OS(Me)R)]+ X−; diastereoselective oxidations of coordinated methyl alkyl sulfides †
• Authors of publication: Otto, Michael; Boone, Brian J.; Arif, Atta M.; Gladysz, J. A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 1218
• a: 10.758 ± 0.002 Å
• b: 11.121 ± 0.002 Å
• c: 14.558 ± 0.003 Å
• α: 102.47 ± 0.02°
• β: 102.42 ± 0.02°
• γ: 77.26 ± 0.02°
• Cell volume: 1632.9 ± 0.6 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No