Information card for entry 4126394

Structure parameters

• Formula: C32 H56 B11 Br N4 Si2
• Calculated formula: C32 H56 B11 Br N4 Si2
• SMILES: [BH]1234[BH]567[C]89%101[Si]1(B(Br)[Si]%11([C]%12%1339[BH]398[BH]8%14%12[BH]%12%153[BH]36([BH]625[BH]8%123[BH]4%13%146)[BH]7%109%15)[N](=C(c2ccccc2)N%11C(C)(C)C)C(C)(C)C)[N](=C(c2ccccc2)N1C(C)(C)C)C(C)(C)C
• 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: 23.1961 ± 0.0004 Å
• b: 19.203 ± 0.0004 Å
• c: 13.8123 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6152.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No