Information card for entry 7120954

Structure parameters

• Formula: C20 H44 B10 N4 Si
• Calculated formula: C20 H44 B10 N4 Si
• SMILES: [Si]1(N(/C(=N/C(C)C)[C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[BH]4%13%11[BH]%11%102[BH]279[BH]796[BH]34([BH]%13%1127)[C]158%129)C(C)C)=C1N(C(C)C)C(C)=C(N1C(C)C)C
• 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: 11.5795 ± 0.0012 Å
• b: 18.0348 ± 0.0018 Å
• c: 13.6549 ± 0.0014 Å
• α: 90°
• β: 98.231 ± 0.002°
• γ: 90°
• Cell volume: 2822.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1105
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No