Information card for entry 4519055

Structure parameters

• Formula: C28 H28 B2 F8 Se2
• Calculated formula: C28 H28 B2 F8 Se2
• SMILES: [Se+](c1ccccc1)(c1ccccc1)CCCC[Se+](c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Bis-selenonium Cations as Bidentate Chalcogen Bond Donors in Catalysis
• Authors of publication: He, Xinxin; Wang, Xinyan; Tse, Ying-Lung Steve; Ke, Zhihai; Yeung, Ying-Yeung
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 12632 - 12642
• a: 9.699 ± 0.002 Å
• b: 12.175 ± 0.003 Å
• c: 14.816 ± 0.004 Å
• α: 90.131 ± 0.009°
• β: 108.339 ± 0.007°
• γ: 103.651 ± 0.008°
• Cell volume: 1608.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No