Information card for entry 4515780

Structure parameters

• Formula: C4 H10 Cl8 N2 W2
• Calculated formula: C4 H10 Cl8 N2 W2
• SMILES: [W](Cl)(Cl)(Cl)(=NCC)Cl
• 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: 7.7134 ± 0.0003 Å
• b: 7.817 ± 0.0003 Å
• c: 7.9908 ± 0.0003 Å
• α: 97.754 ± 0.003°
• β: 108.946 ± 0.003°
• γ: 112.35 ± 0.004°
• Cell volume: 402.67 ± 0.03 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: 0.034
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No