Information card for entry 4515782

Structure parameters

• Formula: C24 H34 Cl8 N2 W2
• Calculated formula: C24 H34 Cl8 N2 W2
• SMILES: N(=[W](Cl)(Cl)(Cl)Cl)c1c(cccc1C(C)C)C(C)C
• 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: 9.6082 ± 0.0006 Å
• b: 9.7882 ± 0.0007 Å
• c: 10.2905 ± 0.0006 Å
• α: 106.301 ± 0.008°
• β: 106.481 ± 0.008°
• γ: 110.355 ± 0.008°
• Cell volume: 788.82 ± 0.14 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation probe: x-ray
• 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