Information card for entry 4339864

Structure parameters

• Formula: C29 H52 Cl3 N2 O2 Re
• Calculated formula: C29 H52 Cl3 N2 O2 Re
• SMILES: [Re]1(Cl)(Cl)(Cl)(=O)OC(=CC(=[N]1c1c(cccc1C)C)C)C.[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 13.4531 ± 0.0009 Å
• b: 16.9556 ± 0.0013 Å
• c: 15.5468 ± 0.001 Å
• α: 90°
• β: 113.56 ± 0.005°
• γ: 90°
• Cell volume: 3250.7 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 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: 0.0299
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No