Information card for entry 4328193

Structure parameters

• Formula: C16 H34 B10 P2 Pt S
• Calculated formula: C16 H34 B10 P2 Pt S
• SMILES: S[B]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]91([Pt]68([P](C)(C)c1ccccc1)([P](C)(C)c1ccccc1)[BH]734[H]5)[H]%11
• 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: 10.2839 ± 0.0011 Å
• b: 18.928 ± 0.002 Å
• c: 13.9112 ± 0.0016 Å
• α: 90°
• β: 98.931 ± 0.006°
• γ: 90°
• Cell volume: 2675 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No