Information card for entry 4302750

Structure parameters

• Formula: C22 H26 Br2 N2 O8 Re2
• Calculated formula: C22 H26 Br2 N2 O8 Re2
• SMILES: [Re](=O)(=O)([O-])(Oc1ccc(Br)cc1/C=[NH+]/[C@@H]1CCCC[C@H]1/[NH+]=C/c1cc(Br)ccc1O[Re](=O)(=O)([O-])C)C.[Re](=O)(=O)([O-])(Oc1ccc(Br)cc1/C=[NH+]/[C@H]1CCCC[C@@H]1/[NH+]=C/c1cc(Br)ccc1O[Re](=O)(=O)([O-])C)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: 27.6278 ± 0.0013 Å
• b: 8.77 ± 0.0002 Å
• c: 24.9535 ± 0.0012 Å
• α: 90°
• β: 116.257 ± 0.003°
• γ: 90°
• Cell volume: 5422.3 ± 0.4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No