Information card for entry 4515808

Structure parameters

• Formula: C20 H36 Cl2 N2 O2 W
• Calculated formula: C20 H36 Cl2 N2 O2 W
• SMILES: [W]1(Cl)(Cl)([O](C)CC[O]1C)(=NC(C)(C)C)=Nc1c(cccc1C(C)C)C(C)C
• Title of publication: Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene
• Authors of publication: Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 11249
• a: 9.8343 ± 0.0006 Å
• b: 9.9604 ± 0.0006 Å
• c: 13.7645 ± 0.0008 Å
• α: 70.528 ± 0.008°
• β: 85.509 ± 0.008°
• γ: 71.846 ± 0.008°
• Cell volume: 1207.4 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0306
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No