Information card for entry 7057308

Structure parameters

• Formula: C28 H30 Cl6 N3 W
• Calculated formula: C28 H30 Cl6 N3 W
• Title of publication: Activation of CN bonds by high-valent group 6 metal chlorides, including the conversion of an α-diimine into a functionalized imidazolium
• Authors of publication: Bartalucci, Niccolò; Bortoluzzi, Marco; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 8503
• a: 8.3116 ± 0.0004 Å
• b: 18.5141 ± 0.0009 Å
• c: 22.4919 ± 0.0011 Å
• α: 90°
• β: 97.532 ± 0.003°
• γ: 90°
• Cell volume: 3431.2 ± 0.3 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: 0.0412
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No