Information card for entry 1548260

Structure parameters

• Formula: C32 H32 B2 N4 Si
• Calculated formula: C32 H32 B2 N4 Si
• SMILES: [B@@H]1(c2ccccc2)c2n(C)cc[n]2[B@@](c2n(C)cc[n]12)(c1ccccc1)[SiH](c1ccccc1)c1ccccc1.[B@H]1(c2ccccc2)c2n(C)cc[n]2[B@](c2n(C)cc[n]12)(c1ccccc1)[SiH](c1ccccc1)c1ccccc1
• Title of publication: Ambiphilic boron in 1,4,2,5-diazadiborinine
• Authors of publication: Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo
• Journal of publication: Nature Communications
• Year of publication: 2016
• Journal volume: 7
• Pages of publication: 11871
• a: 20.534 ± 0.008 Å
• b: 18.455 ± 0.007 Å
• c: 7.417 ± 0.003 Å
• α: 90°
• β: 94.979 ± 0.009°
• γ: 90°
• Cell volume: 2800.1 ± 1.9 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1793
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No