Information card for entry 4339862

Structure parameters

• Formula: C35.5 H62 Cl3 N2 O3 Re S
• Calculated formula: C35.5 H62 Cl3 N2 O3 Re S
• Title of publication: Rhenium(V) oxo complexes with acetylacetone derived Schiff bases: structure and catalytic epoxidation.
• Authors of publication: Sachse, Anna; Mösch-Zanetti, Nadia C; Lyashenko, Ganna; Wielandt, J. Wolfram; Most, Kerstin; Magull, Jörg; Dall'Antonia, Fabio; Pal, Aritra; Herbst-Irmer, Regine
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 7129 - 7135
• a: 14.5256 ± 0.0006 Å
• b: 17.4906 ± 0.0006 Å
• c: 17.1378 ± 0.0008 Å
• α: 90°
• β: 113.981 ± 0.003°
• γ: 90°
• Cell volume: 3978.2 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No