Information card for entry 7120956

Structure parameters

• Formula: C41 H62 B10 N4 Si
• Calculated formula: C41 H62 B10 N4 Si
• SMILES: [Si]12([C]3456[C]789(C(=N\C(C)C)/N2C(C)C)[BH]2%103[BH]3%117[BH]7%128[BH]849[BH]49%12[BH]%12%117[BH]7%103[BH]352[BH]684[BH]9%1273)(=C2N(C(=C(C)N2C(C)C)C)C(C)C)C(=C1c1ccccc1)c1ccccc1.Cc1ccccc1
• 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: 20.0349 ± 0.0005 Å
• b: 20.6925 ± 0.0005 Å
• c: 21.5296 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8925.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No