Crystallography Open Database

Information card for entry 7047310

Preview

Coordinates	7047310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H9 N9 O10
Calculated formula	C9 H9 N9 O10
Title of publication	5-Amino-1H-1,2,4-triazole-3-carbohydrazide and its applications in the synthesis of energetic salts: a new strategy for constructing the nitrogen-rich cation based on the energetic moiety combination.
Authors of publication	Zhang, Guojie; Chen, Ya; Liao, Longyu; Lu, Huanchang; Zhang, Zhenqi; Ma, Qing; Yang, Hongwei; Fan, Guijuan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	38
Pages of publication	13391 - 13401
a	7.251 ± 0.002 Å
b	8.401 ± 0.002 Å
c	12.141 ± 0.004 Å
α	96.687 ± 0.016°
β	98.317 ± 0.019°
γ	93.39 ± 0.03°
Cell volume	724.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
230025 (current)	2019-11-17	cif/ Updating files of 7047309, 7047310, 7047311, 7047312, 7047313, 7047314 Original log message: Adding full bibliography for 7047309--7047314.cif.	7047310.cif
210010	2018-08-21	cif/ Adding structures of 7047309, 7047310, 7047311, 7047312, 7047313, 7047314 via cif-deposit CGI script.	7047310.cif