Information card for entry 7720389

Structure parameters

• Chemical name: (mu-oxido)-bis((2,4-t-butyl-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenolato)-dichlorido-oxido-rhenium(VI)) cyclohexane solvate
• Formula: C44 H68 Cl4 N2 O7 Re2
• Calculated formula: C44 H68 Cl4 N2 O7 Re2
• 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: 15.05 ± 0.0002 Å
• b: 19.9825 ± 0.0002 Å
• c: 16.4972 ± 0.0002 Å
• α: 90°
• β: 100.322 ± 0.001°
• γ: 90°
• Cell volume: 4881.02 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No