Information card for entry 7127880

Structure parameters

• Formula: C10 H23 B10 N O S Si
• Calculated formula: C10 H23 B10 N O S Si
• SMILES: S(c1ncccc1)[C]1234[C]567([Si](C)(C)C)[BH]891[BH]1%102[B]2%113(O)[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121
• Title of publication: Transition metal-mediated B(4)-H hydroxylation/halogenation of o-carboranes bearing a 2-pyridylsulfenyl ligand.
• Authors of publication: Guo, Shu-Ting; Cui, Peng-Fei; Yuan, Run-Ze; Jin, Guo-Xin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 19
• Pages of publication: 2412 - 2415
• a: 9.6689 ± 0.0005 Å
• b: 13.6644 ± 0.0008 Å
• c: 15.5496 ± 0.0008 Å
• α: 103.901 ± 0.003°
• β: 93.292 ± 0.003°
• γ: 106.301 ± 0.003°
• Cell volume: 1896.81 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No