Information card for entry 4348597

Structure parameters

• Formula: C12 H28 B20 O6 Os3 S2
• Calculated formula: C12 H28 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%151[BH]1%16%14[BH]%14%17%13[B]%1339%12[BH]39%11[BH]%11%106[BH]6%15%16[BH]%101%17[BH]%14%133[BH]9%116%10)([H]8)([H]5)[H][B]1356[C]89%10([S]2C)[CH]2%11%12[B]%13718[BH]17%11[BH]85%13[BH]5%116[BH]639[BH]3%102[BH]256[BH]%1213[BH]78%112)(C#[O])(C#[O])[H]4)(C#[O])C#[O]
• 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: 14.4603 ± 0.0012 Å
• b: 15.4906 ± 0.0013 Å
• c: 16.006 ± 0.0014 Å
• α: 90°
• β: 115.583 ± 0.002°
• γ: 90°
• Cell volume: 3233.8 ± 0.5 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: 0.0324
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No