Information card for entry 7044297

Structure parameters

• Formula: C22 H28 Cl4 N2 W
• Calculated formula: C22 H28 Cl4 N2 W
• SMILES: C1C=[N](c2c(cccc2CC)CC)[W](Cl)(Cl)(Cl)(Cl)[N]=1c1c(cccc1CC)CC
• Title of publication: Allowing the direct interaction of N-aryl α-diimines with a high valent metal chloride: one-pot WCl6-promoted formation of quinoxalinium salts
• Authors of publication: Bartalucci, Niccolò; Bortoluzzi, Marco; Funaioli, Tiziana; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.3214 ± 0.0013 Å
• b: 12.5342 ± 0.0015 Å
• c: 17.149 ± 0.002 Å
• α: 90°
• β: 104.77 ± 0.003°
• γ: 90°
• Cell volume: 2353.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0644
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No