Information card for entry 2022344

Structure parameters

• Chemical name: <i>trans</i>-Tetrachloridobis(diethyl ether-κ<i>O</i>)tungsten(IV)
• Formula: C8 H20 Cl4 O2 W
• Calculated formula: C8 H20 Cl4 O2 W
• SMILES: C(C)[O](CC)[W](Cl)(Cl)([O](CC)CC)(Cl)Cl
• Title of publication: A 35-year-old mystery solved: a facile synthetic route and structural confirmation of tetrachlorobis(diethyl ether)tungsten(IV)
• Authors of publication: Shaw, Thomas E.; Sattelberger, Alfred P.; Jurca, Titel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 4
• Pages of publication: 181 - 185
• a: 7.5962 ± 0.0003 Å
• b: 11.4871 ± 0.0004 Å
• c: 9.0245 ± 0.0004 Å
• α: 90°
• β: 106.339 ± 0.004°
• γ: 90°
• Cell volume: 755.66 ± 0.05 ų
• Cell temperature: 297.22 ± 0.1 K
• Ambient diffraction temperature: 297.22 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No