Information card for entry 4120530

Structure parameters

• Formula: C48 H69 B3 Cl4 N8
• Calculated formula: C48 H69 B3 Cl4 N8
• SMILES: ClCCl.ClCCl.n1(C(C)C)c(n(c2c1cccc2)C)=C(c1n(C(C)C)c2ccccc2[n+]1C)[BH]C(=c1n(C(C)C)c2ccccc2n1C)c1n(C(C)C)c2ccccc2[n+]1C.[BH4-].[BH4-]
• Title of publication: The elusive three-coordinate dicationic hydrido boron complex.
• Authors of publication: Chen, Wen-Ching; Lee, Ching-Yu; Lin, Bo-Chao; Hsu, Yu-Chen; Shen, Jiun-Shian; Hsu, Chao-Ping; Yap, Glenn P. A.; Ong, Tiow-Gan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 3
• Pages of publication: 914 - 917
• a: 19.9987 ± 0.0004 Å
• b: 10.2339 ± 0.0002 Å
• c: 24.9466 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5105.69 ± 0.18 ų
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.105
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No