Information card for entry 4515806

Structure parameters

• Formula: C16 H10 Cl2 F10 N2 O2 W
• Calculated formula: C16 H10 Cl2 F10 N2 O2 W
• SMILES: [W]1(Cl)(Cl)([O](C)CC[O]1C)(=Nc1c(F)c(F)c(F)c(F)c1F)=Nc1c(F)c(F)c(F)c(F)c1F
• 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: 7.3379 ± 0.0003 Å
• b: 7.8387 ± 0.0004 Å
• c: 17.8616 ± 0.0008 Å
• α: 87.953 ± 0.007°
• β: 81.828 ± 0.007°
• γ: 87.079 ± 0.007°
• Cell volume: 1015.22 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No