Information card for entry 4349694

Structure parameters

• Formula: C11 H15 Cl4 N O2 W
• Calculated formula: C11 H15 Cl4 N O2 W
• SMILES: c1(ccc(cc1)OC)N=[W](Cl)(Cl)(Cl)(Cl)[O]1CCCC1
• Title of publication: Selective ethylene oligomerisation using supported tungsten mono-imido catalysts
• Authors of publication: Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 1048
• a: 13.2115 ± 0.0002 Å
• b: 8.0822 ± 0.0001 Å
• c: 15.7475 ± 0.0002 Å
• α: 90°
• β: 109.109 ± 0.001°
• γ: 90°
• Cell volume: 1588.83 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No