Crystallography Open Database

Information card for entry 7049551

Preview

Coordinates	7049551.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
224416 (current)	2019-11-08	cif/ Updating files of 7049551 Original log message: Adding full bibliography for 7049551.cif.	7049551.cif
214457	2019-04-03	cif/ Adding structures of 7049551 via cif-deposit CGI script.	7049551.cif