Information card for entry 7049551

Structure parameters

• Formula: C27 H24 B N4 P
• Calculated formula: C27 H24 B N4 P
• Title of publication: Synthesis and hypergolic properties of flammable ionic liquids based on the cyano (1H-1,2,3-triazole-1-yl) dihydroborate anion.
• Authors of publication: Wang, Zhi; Jin, Yunhe; Zhang, Wenquan; Wang, Binshen; Liu, Tianlin; Zhang, Jiaheng; Zhang, Qinghua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 18
• Pages of publication: 6198 - 6204
• a: 8.17 ± 0.002 Å
• b: 14.187 ± 0.004 Å
• c: 20.986 ± 0.006 Å
• α: 90°
• β: 92.499 ± 0.008°
• γ: 90°
• Cell volume: 2430.1 ± 1.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0951
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No