Information card for entry 7034140

Structure parameters

• Formula: C10 H19 B9 O5 S2 W
• Calculated formula: C10 H19 B9 O5 S2 W
• SMILES: [W]([S](C)[C]123[BH]456[BH]789[BH]%1014[BH]147[BH]7%118[BH]859[BH]5%11([S](C)C)([BH]47([CH]2%101)[H]5)[BH]368)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• 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: 16.4654 ± 0.0009 Å
• b: 9.0388 ± 0.0005 Å
• c: 14.9863 ± 0.0008 Å
• α: 90°
• β: 116.501 ± 0.001°
• γ: 90°
• Cell volume: 1996.02 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.028
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No