Crystallography Open Database

Information card for entry 7057589

Preview

Coordinates	7057589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H20 N30 O4
Calculated formula	C8 H20 N30 O4
Title of publication	A novel facile transformation to 1,2-bis(3-nitro-1-(1H-tetrazol-5-yl)-1H-1,2,4-triazol-5-yl)hydrazine salts
Authors of publication	Zhao, Baojing; Li, Xingye; Wang, Piaopiao; Ding, Yongzhi; Zhou, Zhiming
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	17
Pages of publication	14087
a	11.727 ± 0.002 Å
b	7.3404 ± 0.0015 Å
c	13.67 ± 0.003 Å
α	90°
β	90.36 ± 0.03°
γ	90°
Cell volume	1176.7 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	3
Hermann-Mauguin space group symbol	P 1 2 1
Hall space group symbol	P 2y
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
230286 (current)	2019-11-17	cif/ Updating files of 7057588, 7057589, 7057590 Original log message: Adding full bibliography for 7057588--7057590.cif.	7057589.cif
209273	2018-07-26	cif/ Adding structures of 7057588, 7057589, 7057590 via cif-deposit CGI script.	7057589.cif