Information card for entry 7128326

Structure parameters

• Formula: C28 H55 B10 N4 O3 P Si
• Calculated formula: C28 H55 B10 N4 O3 P Si
• SMILES: P1(N(C(C)(C)C)CCN1C(C)(C)C)[C]1234[C]567([Si]89(OC(=O)O8)[N](=C(N9C(C)(C)C)c8ccccc8)C(C)(C)C)[BH]892[BH]2%10%11[BH]%12%13%14[BH]%15%16%11[BH]%111([BH]1%12%15[BH]35%11[BH]7%141[BH]69%10%13)[BH]482%16
• Title of publication: Distinctly different reactivity of bis(silylenyl)-<i>versus</i> phosphanyl-silylenyl-substituted <i>o</i>-dicarborane towards O₂, N₂O and CO₂.
• Authors of publication: Xiong, Yun; Yao, Shenglai; Ruzicka, Ales; Driess, Matthias
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 48
• Pages of publication: 5965 - 5968
• a: 9.7706 ± 0.0002 Å
• b: 22.3265 ± 0.0004 Å
• c: 17.6158 ± 0.0004 Å
• α: 90°
• β: 103.718 ± 0.002°
• γ: 90°
• Cell volume: 3733.15 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0601
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No