Information card for entry 4328191

Structure parameters

• Formula: B10 H14 S
• Calculated formula: B10 H14 S
• SMILES: [BH]1234[B]567(S)[BH]891[BH]1%102[BH]2%119[BH]978[BH]76([BH]35([BH]34%10[BH]12([H]%11)[H]3)[H]7)[H]9
• Title of publication: Decaborane Thiols as Building Blocks for Self-Assembled Monolayers on Metal Surfaces
• Authors of publication: Jonathan Bould; Jan Macháček; Michael G. S. Londesborough; Ramón Macías; John D. Kennedy; Zdeněk Bastl; Patrick Rupper; Tomáš Baše
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1685 - 1694
• a: 7.1496 ± 0.0001 Å
• b: 10.7261 ± 0.0002 Å
• c: 12.7584 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 978.41 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No