Information card for entry 7023065

Structure parameters

• Formula: C21 H15 N2 O6 Re
• Calculated formula: C21 H15 N2 O6 Re
• SMILES: [Re]12(=O)(OC(=O)c3cccc4ccc[n]1c34)(OC(=O)c1cccc3ccc[n]2c13)OC
• Title of publication: Oxorhenium(V) complexes of quinoline and isoquinoline carboxylic acids–synthesis, structural characterization and catalytic application in epoxidation reactions.
• Authors of publication: Machura, Barbara; Wolff, Mariusz; Benoist, Eric; Schachner, Jörg A; Mösch-Zanetti, Nadia C
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 8827 - 8837
• a: 8.1736 ± 0.0004 Å
• b: 8.8246 ± 0.0004 Å
• c: 14.5611 ± 0.0006 Å
• α: 93.471 ± 0.003°
• β: 103.383 ± 0.004°
• γ: 115.785 ± 0.004°
• Cell volume: 904.3 ± 0.08 ų
• Cell temperature: 295 ± 0.2 K
• Ambient diffraction temperature: 295 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No