Information card for entry 4515803

Structure parameters

• Formula: C16 H14 Cl2 F6 N2 O2 W
• Calculated formula: C16 H14 Cl2 F6 N2 O2 W
• SMILES: [W]1(Cl)(Cl)([O](C)CC[O]1C)(=Nc1c(F)cc(F)cc1F)=Nc1c(F)cc(F)cc1F
• 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: 12.0005 ± 0.0005 Å
• b: 12.4893 ± 0.0005 Å
• c: 13.5857 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2036.2 ± 0.15 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No