Information card for entry 7128323

Structure parameters

• Formula: C27 H55 B10 N4 O P Si
• Calculated formula: C27 H55 B10 N4 O P Si
• SMILES: P1(N(C(C)(C)C)CCN1C(C)(C)C)[C]1234[C]567([Si]8(=O)[N](=C(N8C(C)(C)C)c8ccccc8)C(C)(C)C)[BH]891[BH]1%105[BH]5%116[BH]6%12%13[BH]%14%15%16[BH]26([BH]38%14[BH]9%10%16[BH]1%11%13%15)[BH]475%12
• 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: 19.7759 ± 0.0005 Å
• b: 9.9587 ± 0.0002 Å
• c: 37.0968 ± 0.0011 Å
• α: 90°
• β: 98.741 ± 0.002°
• γ: 90°
• Cell volume: 7221.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No