Information card for entry 4126396

Structure parameters

• Formula: C36 H64 B11 Cl2 Cu N4 O Si2
• Calculated formula: C36 H64 B11 Cl2 Cu N4 O Si2
• Title of publication: Synthesis, Structure and Reactivity of a Borylene Cation [(NHSi)2B(CO)]+ Stabilized by Three Neutral Ligands.
• Authors of publication: Wang, Hao; Wu, Linlin; Lin, Zhenyang; Xie, Zuowei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 16.832 ± 0.0008 Å
• b: 19.0753 ± 0.0009 Å
• c: 17.8224 ± 0.0009 Å
• α: 90°
• β: 94.3906 ± 0.0015°
• γ: 90°
• Cell volume: 5705.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.1326
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.2609
• Weighted residual factors for all reflections included in the refinement: 0.2901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No