Information card for entry 7249715

Structure parameters

• Common name: trichloro-[2,4-dichloro-6-(4,4-dimethyl-4,5-dihydro-1,3-oxa-zol-2-yl)phenolato-N,O]-(triphenylphosphine oxide-O)-rhenium(IV)
• Chemical name: trichloro-[2,4-dichloro-6-(4,4-dimethyl-4,5-dihydro-1,3-oxa-zol-2-yl)phenolato-N,O]-(triphenylphosphine oxide-O)-rhenium(IV)
• Formula: C29 H25 Cl5 N O3 P Re
• Calculated formula: C29 H25 Cl5 N O3 P 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: 9.9619 ± 0.0018 Å
• b: 10.0674 ± 0.0018 Å
• c: 17.161 ± 0.003 Å
• α: 73.649 ± 0.005°
• β: 76.698 ± 0.005°
• γ: 71.136 ± 0.006°
• Cell volume: 1544.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No