Information card for entry 4349692

Structure parameters

• Formula: C9 H12 Cl F2 N W
• Calculated formula: C9 H12 Cl F2 N W
• SMILES: [W](Cl)(=Nc1c(F)cccc1F)(C)(C)C
• 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: 7.3092 ± 0.0001 Å
• b: 7.5096 ± 0.0001 Å
• c: 11.8873 ± 0.0002 Å
• α: 90.124 ± 0.001°
• β: 95.77 ± 0.001°
• γ: 118.542 ± 0.001°
• Cell volume: 569.34 ± 0.016 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No