Information card for entry 4348598

Structure parameters

• Formula: C18 H42 B20 O6 Os3 S2
• Calculated formula: C18 H42 B20 O6 Os3 S2
• SMILES: [Os]12345([Os]678([Os]1(C#[O])(C#[O])([B]19%10%11[C]%12%13%14([S]6C)[CH]6%15%16[B]%1731%12[BH]13%15[BH]%12%10%17[BH]%10%15%11[BH]%119%13[BH]9%146[BH]6%10%11[BH]%1619[BH]3%12%156)([B]1369[C]%10%11%12([S]2C)[CH]2%13%14[B]%1571%10[BH]17%13[BH]%106%15[BH]6%139[BH]93%11[BH]3%122[BH]269[BH]%1413[BH]7%10%132)([H]8)[H]5)(C#[O])(C#[O])[H]4)(C#[O])C#[O].CCCCCC
• Title of publication: Opening of Carborane Cages by Metal Cluster Complexes: The Reaction of a Thiolate-Substituted Carborane with Triosmium Carbonyl Cluster Complexes.
• Authors of publication: Adams, Richard D.; Kiprotich, Joseph; Peryshkov, Dmitry V.; Wong, Yuen Onn
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 16
• Pages of publication: 8207 - 8213
• a: 12.2286 ± 0.0019 Å
• b: 12.0151 ± 0.0019 Å
• c: 28.33 ± 0.004 Å
• α: 90°
• β: 97.59 ± 0.003°
• γ: 90°
• Cell volume: 4126 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No