Crystallography Open Database

Information card for entry 7060954

Preview

Coordinates	7060954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H10 N10 O5
Calculated formula	C5 H10 N10 O5
Title of publication	Introduction of the acylamino group to bridged bis(nitroamino-1,2,4-triazole): a strategy for tuning the sensitivity of energetic materials
Authors of publication	Chen, Dongxu; Zhao, Jiangshan; Yang, Hongwei; Gu, Hao; Cheng, Guangbin
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	38
Pages of publication	18059 - 18064
a	9.9197 ± 0.0014 Å
b	7.174 ± 0.0007 Å
c	16.673 ± 0.002 Å
α	90°
β	106.745 ± 0.004°
γ	90°
Cell volume	1136.2 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1204
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269766 (current)	2021-10-06	cif/ Updating files of 7060954 Original log message: Adding full bibliography for 7060954.cif.	7060954.cif
269144	2021-09-15	cif/ Adding structures of 7060954 via cif-deposit CGI script.	7060954.cif