Information card for entry 4515812

Structure parameters

• Formula: C23 H32 Cl4 N4 O6 W
• Calculated formula: C23 H32 Cl4 N4 O6 W
• SMILES: [W]1(Cl)(Cl)([O](C)CC[O]1C)(=Nc1c(N(=O)=O)cccc1N(=O)=O)=Nc1c(cccc1C(C)C)C(C)C.ClCCl
• 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: 16.4344 ± 0.0006 Å
• b: 10.2454 ± 0.0003 Å
• c: 17.7291 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2985.17 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No