Information card for entry 4303831

Structure parameters

• Chemical name: Chlorooxo-bis[4-(2-methyl-phenylimino)-2-pentanonato-N,O]rhenium(V)
• Formula: C24 H28 Cl N2 O3 Re
• Calculated formula: C24 H28 Cl N2 O3 Re
• SMILES: [Re]12(Cl)(=O)(OC(=CC(=[N]1c1c(cccc1)C)C)C)OC(=CC(=[N]2c1c(cccc1)C)C)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: 13.496 ± 0.002 Å
• b: 10.718 ± 0.002 Å
• c: 16.288 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2356.1 ± 0.7 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No