Crystallography Open Database

Information card for entry 7057588

Preview

Coordinates	7057588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H10 N18 O6
Calculated formula	C8 H10 N18 O6
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	12.368 ± 0.003 Å
b	6.1353 ± 0.0012 Å
c	13.01 ± 0.003 Å
α	90°
β	99.24 ± 0.03°
γ	90°
Cell volume	974.4 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0621
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.1325
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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.	7057588.cif
209273	2018-07-26	cif/ Adding structures of 7057588, 7057589, 7057590 via cif-deposit CGI script.	7057588.cif