Information card for entry 4349697

Structure parameters

• Formula: C12 H11 Cl4 F6 N O W
• Calculated formula: C12 H11 Cl4 F6 N O W
• SMILES: c1(cc(cc(c1)C(F)(F)F)C(F)(F)F)N=[W]([O]1CCCC1)(Cl)(Cl)(Cl)Cl
• 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: 8.9918 ± 0.0001 Å
• b: 10.3714 ± 0.0001 Å
• c: 10.972 ± 0.0001 Å
• α: 63.427 ± 0.001°
• β: 86.047 ± 0.001°
• γ: 89.359 ± 0.001°
• Cell volume: 912.735 ± 0.018 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: 0.0261
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No