Information card for entry 7058564

Structure parameters

• Formula: C8 H14 O2 Se
• Calculated formula: C8 H14 O2 Se
• Title of publication: Sulphur‒sulphur, sulphur‒selenium, selenium‒selenium and selenium‒carbon bond activation using Fe3(CO)12: an unexpected formation of an Fe2(CO)6 complex containing a μ2,κ3-C,O,Se-ligand
• Authors of publication: Trautwein, Ralf; Abul-Futouh, Hassan; Görls, Helmar; Imhof, Wolfgang; Almazahreh, Laith R.; Weigand, Wolfgang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 32
• Pages of publication: 12580
• a: 15.0541 ± 0.0003 Å
• b: 6.004 ± 0.0001 Å
• c: 9.8772 ± 0.0002 Å
• α: 90°
• β: 92.705 ± 0.001°
• γ: 90°
• Cell volume: 891.75 ± 0.03 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No