Information card for entry 7027759

Structure parameters

• Formula: C18 H31 Cl4 N5 O2 Re
• Calculated formula: C18 H31 Cl4 N5 O2 Re
• SMILES: [Re](Cl)(Cl)(Cl)(Cl)([NH]=C(ON=C1CCCCC1)C)[NH]=C(ON=C1CCCCC1)C.N#CC
• Title of publication: Facile rhenium(IV)-mediated coupling of acetonitrile and oximes †
• Authors of publication: Wagner, Gabriele; Pombeiro, Armando J. L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 22
• Pages of publication: 4083
• a: 10.465 ± 0.002 Å
• b: 25.267 ± 0.005 Å
• c: 10.905 ± 0.002 Å
• α: 90°
• β: 112.21 ± 0.03°
• γ: 90°
• Cell volume: 2669.5 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No