Information card for entry 4302748

Structure parameters

• Formula: C21 H25 N2 O5 Re
• Calculated formula: C21 H25 N2 O5 Re
• SMILES: [Re](=O)(=O)([O-])(Oc1ccccc1/C=[NH+]/[C@H]1CCCC[C@@H]1/N=C/c1ccccc1O)C.[Re](=O)(=O)([O-])(Oc1ccccc1/C=[NH+]/[C@@H]1CCCC[C@H]1/N=C/c1ccccc1O)C
• Title of publication: Mono- and Bis- Methyltrioxorhenium(VII) Complexes with Salen Ligands: Synthesis, Properties, Applications
• Authors of publication: Zhaoqing Xu; Ming-Dong Zhou; Markus Drees; Hugh Chaffey-Millar; Eberhardt Herdtweck; Wolfgang A. Herrmann; Fritz E. Kühn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6812 - 6822
• a: 12.9223 ± 0.0006 Å
• b: 11.0773 ± 0.0005 Å
• c: 14.9878 ± 0.0007 Å
• α: 90°
• β: 101.99 ± 0.004°
• γ: 90°
• Cell volume: 2098.61 ± 0.17 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No