Information card for entry 4303833

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(=CC(C)=[N]2c1ccccc1)C
• 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: 9.687 ± 0.002 Å
• b: 9.741 ± 0.002 Å
• c: 13.447 ± 0.003 Å
• α: 72.491 ± 0.018°
• β: 71.4 ± 0.02°
• γ: 69.02 ± 0.02°
• Cell volume: 1097.6 ± 0.4 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No