Information card for entry 7704996

Structure parameters

• Common name: cis-dichloro-[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pheno-lato-N,O]-oxo-(triphenylphosphine-P)-rhenium(V)
• Chemical name: cis-dichloro-[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pheno-lato-N,O]-oxo-(triphenylphosphine-P)-rhenium(V)
• Formula: C29 H27 Cl2 N O3 P Re
• Calculated formula: C29 H27 Cl2 N O3 P Re
• SMILES: [Re]1(=O)(Cl)(Cl)([N]2=C(OCC2(C)C)c2c(O1)cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Isomers in chlorido and alkoxido-substituted oxidorhenium(v) complexes: effects on catalytic epoxidation activity.
• Authors of publication: Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 32
• Pages of publication: 11142 - 11149
• a: 9.945 ± 0.002 Å
• b: 10.196 ± 0.002 Å
• c: 14.358 ± 0.003 Å
• α: 79.637 ± 0.003°
• β: 79.537 ± 0.002°
• γ: 69.695 ± 0.002°
• Cell volume: 1331.9 ± 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: 0.0431
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No