Information card for entry 7025996

Structure parameters

• Formula: C28 H46 Al Cl N2 W
• Calculated formula: C28 H46 Al Cl N2 W
• SMILES: [W]1([Cl][Al](N1c1c(cccc1C(C)C)C(C)C)(C)C)(=Nc1c(cccc1C(C)C)C(C)C)(C)C
• Title of publication: Exploring the reactivity of tungsten bis(imido) dimethyl complexes with methyl aluminium reagents: implications for ethylene dimerization.
• Authors of publication: Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Tooze, Robert P.; Hanton, Martin J.; Dyer, Philip W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 30
• Pages of publication: 7038 - 7045
• a: 11.691 ± 0.002 Å
• b: 17.983 ± 0.003 Å
• c: 14.342 ± 0.002 Å
• α: 90°
• β: 92.64 ± 0.01°
• γ: 90°
• Cell volume: 3012.1 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No