Information card for entry 7034139

Structure parameters

• Formula: C5 H19 B9 S2
• Calculated formula: C5 H19 B9 S2
• Title of publication: Tungsten carbonyl σ-complexes with charge-compensated nido-carboranyl thioether ligands.
• Authors of publication: Timofeev, Sergey V.; Zhidkova, Olga B.; Mosolova, Elena M.; Sivaev, Igor B.; Godovikov, Ivan A.; Suponitsky, Kyrill Yu; Starikova, Zoya A.; Bregadze, Vladimir I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 6449 - 6456
• a: 7.778 ± 0.0006 Å
• b: 10.1928 ± 0.0007 Å
• c: 9.3394 ± 0.0007 Å
• α: 90°
• β: 112.947 ± 0.001°
• γ: 90°
• Cell volume: 681.83 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No