Information card for entry 4337850

Structure parameters

• Formula: C21 H22 Cl6 N W
• Calculated formula: C21 H22 Cl6 N W
• SMILES: C(c1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1.Cl[W](Cl)(Cl)(Cl)(Cl)[Cl-]
• Title of publication: Tribenzylamine C-H Activation and Intermolecular Hydrogen Transfer Promoted by WCl6.
• Authors of publication: Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3832
• a: 14.7496 ± 0.0016 Å
• b: 15.1195 ± 0.0017 Å
• c: 10.858 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2421.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No