Information card for entry 4300116

Structure parameters

• Chemical name: rac-(mu!2$-Oxo)-bis[dichloro-(1,5,6-trimethylbenzimidazole)-(pyridine) -oxo-rhenium(v)]
• Formula: C30 H34 Cl4 N6 O3 Re2
• Calculated formula: C30 H34 Cl4 N6 O3 Re2
• SMILES: c1cccc[n]1[Re]([n]1cn(c2c1cc(c(c2)C)C)C)(O[Re]([n]1ccccc1)([n]1cn(c2c1cc(c(c2)C)C)C)(=O)(Cl)Cl)(=O)(Cl)Cl
• Title of publication: Understanding the Orientation and Dynamic Motion of Planar Heterocyclic N-Donor Ligands by Exploiting the Symmetry Properties of Mixed-Ligand μ-Oxorhenium(V) Dinuclear Complexes [ReOCl2(L)(L')]-O-[ReOCl2(L)(L')]: A Combined X-ray Structural and Dynamic NMR Investigation
• Authors of publication: Enzo Alessio; Ennio Zangrando; Elisabetta Iengo; Michela Macchi; Patricia A. Marzilli; Luigi G. Marzilli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 294 - 303
• a: 14.384 ± 0.004 Å
• b: 10.265 ± 0.005 Å
• c: 23.571 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3480 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1816
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.0831
• Goodness-of-fit parameter for all reflections: 0.836
• Goodness-of-fit parameter for significantly intense reflections: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No