Information card for entry 7249710

Structure parameters

• Common name: trans-dichloro-[2,4-dichloro-6-(4,4-dimethyl-4,5-dihydro-1,3-oxa-zol-2-yl)phenolato-N,O]-dimethylthio-oxo-rhenium(V)
• Chemical name: trans-dichloro-[2,4-dichloro-6-(4,4-dimethyl-4,5-dihydro-1,3-oxa-zol-2-yl)phenolato-N,O]-dimethylthio-oxo-rhenium(V)
• Formula: C13 H16 Cl4 N O3 Re S
• Calculated formula: C13 H16 Cl4 N O3 Re S
• Title of publication: An oxidorhenium(v) complex with an electron-withdrawing ligand: benefits and drawbacks for a dual role catalyst
• Authors of publication: Gradenegger, A.; Schachner, J. A.; Belaj, F.; Mösch-Zanetti, N. C.
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 54
• Pages of publication: 40058 - 40068
• a: 8.3972 ± 0.0012 Å
• b: 32.451 ± 0.005 Å
• c: 6.6411 ± 0.0011 Å
• α: 90°
• β: 94.071 ± 0.005°
• γ: 90°
• Cell volume: 1805.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No