Information card for entry 7010458

Structure parameters

• Chemical name: bis(1,4-pyrazine)-dichloro-ethoxy-oxo-rhenium(V)
• Formula: C10 H13 Cl2 N4 O2 Re
• Calculated formula: C10 H13 Cl2 N4 O2 Re
• SMILES: [Re](Cl)(Cl)(=O)(OCC)([n]1ccncc1)[n]1ccncc1
• Title of publication: Complexed bridging ligands: oxorhenium(V) compounds with mono-coordinated pyrazine or pyrimidine as possible building blocks for the construction of polynuclear architectures †
• Authors of publication: Iengo, Elisabetta; Zangrando, Ennio; Mestroni, Stefano; Fronzoni, Giovanna; Stener, Mauro; Alessio, Enzo
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 1338
• a: 11.804 ± 0.003 Å
• b: 9.061 ± 0.003 Å
• c: 14.253 ± 0.004 Å
• α: 90°
• β: 105.67 ± 0.02°
• γ: 90°
• Cell volume: 1467.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1516
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1823
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No