Information card for entry 4322952

Structure parameters

• Formula: C22 H26 Cl3 N2 O4 Re
• Calculated formula: C22 H26 Cl3 N2 O4 Re
• SMILES: c12ccccc1C=[N]1[Re]3(O2)(=O)(OCCC)[N](CCCC1)=Cc1ccccc1O3.C(Cl)(Cl)Cl
• 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: 10.0344 ± 0.0016 Å
• b: 10.647 ± 0.002 Å
• c: 11.481 ± 0.002 Å
• α: 86.551 ± 0.015°
• β: 86.998 ± 0.014°
• γ: 80.112 ± 0.015°
• Cell volume: 1205.1 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0612
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No