Information card for entry 7044298

Structure parameters

• Formula: C24 H31 Cl8 N2 W
• Calculated formula: C24 H31 Cl8 N2 W
• SMILES: [W](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].[n+]1(ccnc2c1cccc2C(C)C)c1c(cccc1C(C)C)C(C)C.C(Cl)Cl
• 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: 9.9556 ± 0.0003 Å
• b: 13.4893 ± 0.0004 Å
• c: 23.5871 ± 0.0007 Å
• α: 80.107 ± 0.002°
• β: 77.848 ± 0.001°
• γ: 89.233 ± 0.002°
• Cell volume: 3049.73 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No