Information card for entry 4303832

Structure parameters

• Chemical name: bromooxo-bis[4-(phenylimino)-2-pentanonato-N,O]rhenium(V)
• Formula: C22 H24 Br N2 O3 Re
• Calculated formula: C22 H24 Br N2 O3 Re
• SMILES: [Re]12(Br)(=O)(OC(=CC(C)=[N]1c1ccccc1)C)OC(C)=CC(C)=[N]2c1ccccc1
• Title of publication: Oxorhenium(V) Complexes with Ketiminato Ligands: Coordination Chemistry and Epoxidation of Cyclooctene
• Authors of publication: Albert Schröckeneder; Pedro Traar; Georg Raber; Judith Baumgartner; Ferdinand Belaj; Nadia C. Mösch-Zanetti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11608 - 11614
• a: 13.2817 ± 0.0019 Å
• b: 9.2166 ± 0.0012 Å
• c: 18.275 ± 0.002 Å
• α: 90°
• β: 103.686 ± 0.012°
• γ: 90°
• Cell volume: 2173.6 ± 0.5 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 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: 0.0585
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No