Information card for entry 4341842

Structure parameters

• Chemical name: Bis(2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-phenolato)-me- thoxy-oxo-rhenium(V)
• Formula: C23 H27 N2 O6 Re
• Calculated formula: C23 H27 N2 O6 Re
• Title of publication: Oxorhenium(V) Complexes with Phenolate-Oxazoline Ligands: Influence of the Isomeric Form on the O-Atom-Transfer Reactivity.
• Authors of publication: Schachner, Jörg A; Terfassa, Belina; Peschel, Lydia M.; Zwettler, Niklas; Belaj, Ferdinand; Cias, Pawel; Gescheidt, Georg; Mösch-Zanetti, Nadia C
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141202093244006
• a: 17.8638 ± 0.0006 Å
• b: 8.6385 ± 0.0003 Å
• c: 14.9031 ± 0.0005 Å
• α: 90°
• β: 111.176 ± 0.001°
• γ: 90°
• Cell volume: 2144.5 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No