Information card for entry 7023066

Structure parameters

• Formula: C28 H21 Cl2 N O3 P Re
• Calculated formula: C28 H21 Cl2 N O3 P Re
• SMILES: [Re]1(=O)(OC(=O)c2[n]1ccc1c2cccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl
• 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: 7.6439 ± 0.0004 Å
• b: 42.292 ± 0.0002 Å
• c: 8.0074 ± 0.0003 Å
• α: 90°
• β: 97.08 ± 0.004°
• γ: 90°
• Cell volume: 2568.86 ± 0.17 ų
• Cell temperature: 295 ± 0.2 K
• Ambient diffraction temperature: 295 ± 0.2 K
• Number of distinct elements: 7
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No