Information card for entry 4349698

Structure parameters

• Formula: C11 H18 Cl N W
• Calculated formula: C11 H18 Cl N W
• SMILES: c1(c(cccc1C)C)N=[W](C)(C)(C)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: 10.481 ± 0.0002 Å
• b: 10.8951 ± 0.0003 Å
• c: 12.1474 ± 0.0003 Å
• α: 90°
• β: 110.473 ± 0.001°
• γ: 90°
• Cell volume: 1299.52 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No