Information card for entry 4328189

Structure parameters

• Formula: C17 H36 B10 Cl2 P2 Pt S
• Calculated formula: C17 H36 B10 Cl2 P2 Pt S
• SMILES: [Pt]123([P](C)(C)c4ccccc4)([P](C)(C)c4ccccc4)[BH]456[BH]789[BH]%1014[B]147(S)[BH]7%118[BH]859[BH2]%11([BH]947[BH]2%101[H]9)[BH]368.ClCCl
• 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: 11.761 ± 0.002 Å
• b: 12.061 ± 0.002 Å
• c: 21.084 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2990.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0266
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0619
• 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