Information card for entry 7709330

Structure parameters

• Formula: C18 H15 Cl4 O P Se W
• Calculated formula: C18 H15 Cl4 O P Se W
• Title of publication: Tungsten(vi) selenide tetrachloride, WSeCl4 – synthesis, properties, coordination complexes and application of [WSeCl4(SenBu2)] for CVD growth of WSe2 thin films
• Authors of publication: Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Sethi, Vikesh; Reid, Gillian
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.59105 ± 0.00017 Å
• b: 11.06907 ± 0.00014 Å
• c: 15.00109 ± 0.00019 Å
• α: 90°
• β: 96.3449 ± 0.0012°
• γ: 90°
• Cell volume: 2077.91 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0274
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• 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