Information card for entry 7720390

Structure parameters

• Chemical name: (2,4-t-butyl-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenolato)-dichlorido-(dimethyl sulfide)-oxido-rhenium(v)
• Formula: C21 H34 Cl2 N O3 Re S
• Calculated formula: C21 H34 Cl2 N O3 Re S
• Title of publication: A di-nuclear μ-oxido rhenium(VI) complex: from deep purple to catalytic applications.
• Authors of publication: Doliner, Tobias A.; Hartmann, Peter E.; Oberwinkler, Gernot; Belaj, Ferdinand; Dupé, Antoine; Boese, A. Daniel; Schachner, Jörg A
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• a: 10.0035 ± 0.0002 Å
• b: 11.1092 ± 0.0002 Å
• c: 12.0885 ± 0.0003 Å
• α: 67.984 ± 0.002°
• β: 83.086 ± 0.002°
• γ: 89.813 ± 0.002°
• Cell volume: 1235.11 ± 0.05 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 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: 0.0301
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No