Information card for entry 7059857

Structure parameters

• Formula: C11 H24 B9 N O4 S2 W
• Calculated formula: C11 H24 B9 N O4 S2 W
• Title of publication: Tungsten carbonyl σ-complexes with C-thioethers based on 9-Me3N-7,8-C2B9H11
• Authors of publication: Timofeev, Sergey V.; Prikaznova, Elena A.; Zhidkova, Olga B.; Druzina, Anna A.; Starikova, Zoya A.; Suponitsky, Kyrill Y.; Godovikov, Ivan A.; Sivaev, Igor B.; Bregadze, Vladimir I.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 33
• Pages of publication: 13934 - 13938
• a: 9.2287 ± 0.0009 Å
• b: 12.889 ± 0.0012 Å
• c: 17.9254 ± 0.0017 Å
• α: 90°
• β: 99.325 ± 0.002°
• γ: 90°
• Cell volume: 2104 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0207
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No