Crystallography Open Database

Information card for entry 7250588

Preview

Coordinates	7250588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H11 N5 O3
Calculated formula	C6 H11 N5 O3
Title of publication	Constructing high-performance and insensitive energetic salts through increased hydrogen bonds
Authors of publication	Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	29
Pages of publication	4976 - 4984
a	11.5773 ± 0.0008 Å
b	6.4537 ± 0.0005 Å
c	12.635 ± 0.0009 Å
α	90°
β	117.101 ± 0.002°
γ	90°
Cell volume	840.39 ± 0.11 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 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	0.0821
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1345
Weighted residual factors for all reflections included in the refinement	0.1657
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
301557 (current)	2025-08-06	cif/ Updating files of 7250585, 7250586, 7250587, 7250588 Original log message: Adding full bibliography for 7250585--7250588.cif.	7250588.cif
300192	2025-06-26	cif/ Adding structures of 7250585, 7250586, 7250587, 7250588 via cif-deposit CGI script.	7250588.cif