Information card for entry 4348596

Structure parameters

• Formula: C21 H12 B10 O18 Os6 S
• Calculated formula: C21 H12 B10 O18 Os6 S
• SMILES: [Os]123([Os]456([Os]71(C#[O])(C#[O])(C#[O])([B]125([B]2584[C]4(SC)[CH]9%10[BH]%1124[BH]249[BH]95%11[B]5718[B]178[Os]%11%12%13([Os]%14%15([Os]%16%11(C#[O])(C#[O])(C#[O])([B]1%12%14([B]%1027%16[BH]4958)[H]%15)[H]%13)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[H]3)[H]6)(C#[O])(C#[O])C#[O])(C#[O])(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: 9.5168 ± 0.0007 Å
• b: 11.8739 ± 0.001 Å
• c: 17.8436 ± 0.0014 Å
• α: 77.45 ± 0.002°
• β: 77.567 ± 0.002°
• γ: 87.628 ± 0.002°
• Cell volume: 1922 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No