Information card for entry 7051683

Structure parameters

• Formula: C21 H21 B O10 Os3
• Calculated formula: C21 H21 B O10 Os3
• SMILES: [Os]123([Os]4([Os]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])[CH](=[C]4(C)C)B([CH]2=[C]3(C)C)CCC)(C#[O])(C#[O])C#[O]
• Title of publication: Reactions of H2Os3(CO)10 with triallylboranes: formation of novel triosmium boron-containing olefin clusters
• Authors of publication: Kizas, Ol'ga A.; Erdyakov, Sergey Yu.; Antonov, Dmitrii Yu.; Godovikov, Ivan A.; Vorontsov, Evgenii V.; Dolgushin, Fedor M.; Ezernitskaya, Mariam G.; Barakovskaya, Irina G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 1760
• a: 9.707 ± 0.003 Å
• b: 16.418 ± 0.005 Å
• c: 16.152 ± 0.005 Å
• α: 90°
• β: 97.054 ± 0.007°
• γ: 90°
• Cell volume: 2554.7 ± 1.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.0785
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No