Information card for entry 7249713

Structure parameters

• Common name: chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4,6-dichlo-rophenolato-N,O]-oxo-rhenium(V)
• Chemical name: chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4,6-dichlo-rophenolato-N,O]-oxo-rhenium(V)
• Formula: C22 H20 Cl5 N2 O5 Re
• Calculated formula: C22 H20 Cl5 N2 O5 Re
• 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: 11.0483 ± 0.0015 Å
• b: 12.4028 ± 0.0017 Å
• c: 37.115 ± 0.005 Å
• α: 90°
• β: 93.108 ± 0.006°
• γ: 90°
• Cell volume: 5078.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No