Information card for entry 7118272

Structure parameters

• Formula: C15 H26 Cl N W
• Calculated formula: C15 H26 Cl N W
• SMILES: [W](Cl)(=Nc1c(cccc1C(C)C)C(C)C)(C)(C)C
• Title of publication: Tungsten imido catalysts for selective ethylene dimerisation.
• Authors of publication: Wright, Christopher M. R.; Turner, Zoë R; Buffet, Jean-Charles; O'Hare, Dermot
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 13
• Pages of publication: 2850 - 2853
• a: 13.1669 ± 0.0001 Å
• b: 12.7572 ± 0.0001 Å
• c: 20.0394 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3366.07 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No