Information card for entry 4349699

Structure parameters

• Formula: C10 H11 Cl4 F2 N O W
• Calculated formula: C10 H11 Cl4 F2 N O W
• SMILES: [W](Cl)(Cl)(Cl)(Cl)([O]1CCCC1)=Nc1c(F)cccc1F
• 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: 8.1651 ± 0.0002 Å
• b: 9.4012 ± 0.0003 Å
• c: 9.9731 ± 0.0003 Å
• α: 87.462 ± 0.002°
• β: 86.122 ± 0.002°
• γ: 79.773 ± 0.002°
• Cell volume: 751.26 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0167
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.0385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No