Information card for entry 4515786

Structure parameters

• Formula: C32 H54 Cl7 N3 W2
• Calculated formula: C32 H54 Cl7 N3 W2
• 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: 9.5696 ± 0.0003 Å
• b: 10.714 ± 0.0003 Å
• c: 40.8756 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4190.9 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.287
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No