Information card for entry 4515781

Structure parameters

• Formula: C26 H20 Cl8 F6 N2 W2
• Calculated formula: C26 H20 Cl8 F6 N2 W2
• SMILES: N(=[W]1(Cl)(Cl)(Cl)[Cl][W](=Nc2c(cc(cc2F)F)F)(Cl)(Cl)(Cl)[Cl]1)c1c(cc(cc1F)F)F.Cc1ccccc1.Cc1ccccc1
• Title of publication: Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes
• Authors of publication: Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; 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: 11235
• a: 7.1984 ± 0.0005 Å
• b: 9.6255 ± 0.0006 Å
• c: 12.8058 ± 0.0008 Å
• α: 68.524 ± 0.016°
• β: 86.291 ± 0.018°
• γ: 81.137 ± 0.018°
• Cell volume: 815.79 ± 0.13 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0286
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No