Information card for entry 4344604

Structure parameters

• Formula: C18 H16 Cl6 N W
• Calculated formula: C18 H16 Cl6 N W
• SMILES: c1(ccccc1)[NH+](c1ccccc1)c1ccccc1.[W](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-]
• Title of publication: Oxidative Dimerization of Triarylamines Promoted by WCl6, Including the Solid State Isolation and the Crystallographic Characterization of a Triphenylammonium Salt.
• Authors of publication: Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 887 - 893
• a: 13.445 ± 0.004 Å
• b: 13.353 ± 0.004 Å
• c: 11.273 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2023.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No