Crystallography Open Database

Information card for entry 7239682

Preview

Coordinates	7239682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H8 N10 O6
Calculated formula	C4 H8 N10 O6
Title of publication	Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents
Authors of publication	Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	3
Pages of publication	593 - 601
a	5.246 ± 0.0002 Å
b	17.8848 ± 0.0007 Å
c	6.3117 ± 0.0002 Å
α	90°
β	112.398 ± 0.002°
γ	90°
Cell volume	547.51 ± 0.04 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.037
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.0904
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
257497 (current)	2020-10-06	cif/ Updating files of 7239680, 7239681, 7239682, 7239683 Original log message: Adding full bibliography for 7239680--7239683.cif.	7239682.cif
247693	2020-02-04	cif/ Updating files of 7239680, 7239681, 7239682, 7239683 Original log message: Adding full bibliography for 7239680--7239683.cif.	7239682.cif
246365	2020-01-01	cif/ Adding structures of 7239680, 7239681, 7239682, 7239683 via cif-deposit CGI script.	7239682.cif