Information card for entry 7049841

Structure parameters

• Common name: tetra(n-butyl)ammonium trichloro-[2-(4,4-dimethyl-4,5-di-hydro-1,3-oxazol-2-yl)-6-methoxyphenolato-N,O]-oxo-rhenate(V)
• Chemical name: tetra(n-butyl)ammonium trichloro-[2-(4,4-dimethyl-4,5-di-hydro-1,3-oxazol-2-yl)-6-methoxyphenolato-N,O]-oxo-rhenate(V)
• Formula: C28 H50 Cl3 N2 O4 Re
• Calculated formula: C28 H50 Cl3 N2 O4 Re
• Title of publication: Stereoisomers and functional groups in oxidorhenium(v) complexes: effects on catalytic activity.
• Authors of publication: Schachner, J. A.; Berner, B.; Belaj, F.; Mösch-Zanetti, N C
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 23
• Pages of publication: 8106 - 8115
• a: 22.2603 ± 0.0007 Å
• b: 9.1943 ± 0.0003 Å
• c: 16.4089 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3358.37 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0177
• Residual factor for significantly intense reflections: 0.0154
• Weighted residual factors for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections included in the refinement: 0.0361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No