Information card for entry 1571059

Structure parameters

• Formula: C14 H31 B11 Cl2 N4 Si2
• Calculated formula: C14 H31 B11 Cl2 N4 Si2
• SMILES: Clc1c(N2B(N([Si](C)(C)C)N=N2)[C]2345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%15%169[BH]96%10[BH]6%10%15[C]279([Si](C)(C)C)[BH]24%10[BH]%12%166[BH]3%132[BH]58%11%14)c(Cl)ccc1
• Title of publication: Avenue to novel <i>o</i>-carboranyl boron compounds - reactivity study of <i>o</i>-carborane-fused aminoborirane towards organic azides.
• Authors of publication: Wang, Junyi; Xiang, Libo; Liu, Xiaocui; Matler, Alexander; Lin, Zhenyang; Ye, Qing
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 4839 - 4845
• a: 10.099 ± 0.0002 Å
• b: 10.6588 ± 0.0001 Å
• c: 13.6478 ± 0.0002 Å
• α: 85.581 ± 0.001°
• β: 72.43 ± 0.001°
• γ: 72.345 ± 0.001°
• Cell volume: 1334.42 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No