Information card for entry 7120955

Structure parameters

• Formula: C33 H54 B10 N4 O Si
• Calculated formula: C33 H54 B10 N4 O Si
• SMILES: O1[Si@]2([C]345[BH]678[BH]9%10%11[BH]%12%13([BH]%14([BH]%15%16%13[BH]%13%10%12[BH]%1079[BH]736[BH]4%14%15[BH]%16%13%107)=C3N(C(=C(C)N3C(C)C)C)C(C)C)[C]58%11/C(=N\C(C)C)N2C(C)C)c2ccccc2[C@@H]1c1ccccc1.O1[Si@@]2([C]345[BH]678[BH]9%10%11[BH]%12%13([BH]%14([BH]%15%16%13[BH]%13%10%12[BH]%1079[BH]736[BH]4%14%15[BH]%16%13%107)=C3N(C(=C(C)N3C(C)C)C)C(C)C)[C]58%11/C(=N\C(C)C)N2C(C)C)c2ccccc2[C@H]1c1ccccc1
• Title of publication: Cyclic amino(carboranyl) silylene: synthesis, structure and reactivity.
• Authors of publication: Wang, Hao; Chan, Tek Long; Xie, Zuowei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 385 - 388
• a: 13.1949 ± 0.0005 Å
• b: 18.8976 ± 0.0007 Å
• c: 16.1057 ± 0.0006 Å
• α: 90°
• β: 91.51 ± 0.002°
• γ: 90°
• Cell volume: 4014.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1273
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No