Information card for entry 4302749

Structure parameters

• Formula: C24 H32 N2 O10 Re2
• Calculated formula: C24 H32 N2 O10 Re2
• SMILES: C[Re](=O)(=O)(=O)Oc1c(cc(cc1)OC)/C=[NH+]/[C@@H]1CCCC[C@H]1/[NH+]=C/c1c(ccc(c1)OC)O[Re](C)(=O)(=O)=O.C[Re](=O)(=O)(=O)Oc1c(cc(cc1)OC)/C=[NH+]/[C@H]1CCCC[C@@H]1/[NH+]=C/c1c(ccc(c1)OC)O[Re](C)(=O)(=O)=O
• 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: 18.8092 ± 0.0009 Å
• b: 12.6315 ± 0.0006 Å
• c: 12.9568 ± 0.0006 Å
• α: 90°
• β: 115.555 ± 0.004°
• γ: 90°
• Cell volume: 2777.2 ± 0.2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• 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: 0.0247
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No