Information card for entry 4348594

Structure parameters

• Formula: C12 H14 B10 O9 Os3 S
• Calculated formula: C12 H14 B10 O9 Os3 S
• SMILES: [Os]12([H][Os]3([Os](C#[O])(C#[O])(C#[O])([H]1)[B]1456[C]789([S]3C)[CH]13%10[BH]19%11[BH]39%12[BH]36%10[BH]6%10%12[BH]%12%119[BH]971[B]1248[BH]536[BH]%10%1291)(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: 9.1412 ± 0.0011 Å
• b: 18.055 ± 0.002 Å
• c: 14.566 ± 0.0017 Å
• α: 90°
• β: 91.265 ± 0.002°
• γ: 90°
• Cell volume: 2403.5 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No