Information card for entry 7027760

Structure parameters

• Formula: C24 H44 Cl4 N4 O2 Re
• Calculated formula: C24 H44 Cl4 N4 O2 Re
• SMILES: [Re](Cl)(Cl)(Cl)(Cl)([NH]=C(O/N=C\1[C@@H](CC[C@H](C1)C)C(C)C)C)[NH]=C(O/N=C\1[C@@H](CC[C@H](C1)C)C(C)C)C
• 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: 9.89 ± 0.002 Å
• b: 16.46 ± 0.003 Å
• c: 19.921 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3242.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No