Information card for entry 1571060

Structure parameters

• Formula: C23 H63 B22 N5 Si4
• Calculated formula: C23 H63 B22 N5 Si4
• SMILES: [Si](N([Si](C)(C)C)B1N(N(N2[C]3456[C]789(B2N([Si](C)(C)C)[Si](C)(C)C)[BH]2%103[BH]3%119[BH]9%128[BH]847[BH]476[BH]652[BH]2%103[BH]376[BH]984[BH]%11%1223)[C]2345[C]6781[BH]192[BH]2%108[BH]8%117[BH]736[BH]365[BH]541[BH]192[BH]265[BH]873[BH]%10%1112)Cc1ccccc1)(C)(C)C
• 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: 18.6315 ± 0.0018 Å
• b: 11.0376 ± 0.001 Å
• c: 22.7392 ± 0.0017 Å
• α: 90°
• β: 108.033 ± 0.003°
• γ: 90°
• Cell volume: 4446.5 ± 0.7 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No