Information card for entry 4322953

Structure parameters

• Formula: C21 H25 N2 O4 Re
• Calculated formula: C21 H25 N2 O4 Re
• SMILES: [Re]123(Oc4ccccc4C=[N]2CCCC[N]3=Cc2ccccc2O1)(=O)OC(C)C
• Title of publication: Rhenium(V)-Salen Complexes: Configurational Control and Ligand Exchange
• Authors of publication: Kjeld J. C. van Bommel; Willem Verboom; Huub Kooijman; Anthony L. Spek; David N. Reinhoudt
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 4197 - 4203
• a: 11.007 ± 0.003 Å
• b: 19.402 ± 0.003 Å
• c: 9.173 ± 0.003 Å
• α: 90°
• β: 99.984 ± 0.013°
• γ: 90°
• Cell volume: 1929.3 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0648
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No