Crystallography Open Database

Information card for entry 7239755

Preview

Coordinates	7239755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H12 N12 O2
Calculated formula	C6 H12 N12 O2
Title of publication	A promising cation of 4-aminofurazan-3-carboxylic acid amidrazone in desensitizing energetic materials
Authors of publication	Zhang, Jichuan; Wang, Zhenyuan; Hsieh, Yunhao; Wang, Binshen; Huang, Haifeng; Yang, Jun; Zhang, Jiaheng
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	5
Pages of publication	2519 - 2525
a	3.6422 ± 0.0009 Å
b	21.241 ± 0.004 Å
c	15.081 ± 0.003 Å
α	90°
β	95.902 ± 0.008°
γ	90°
Cell volume	1160.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1461
Residual factor for significantly intense reflections	0.0918
Weighted residual factors for significantly intense reflections	0.2307
Weighted residual factors for all reflections included in the refinement	0.2745
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
258023 (current)	2020-10-06	cif/ Updating files of 7239755, 7239756, 7239757, 7239758 Original log message: Adding full bibliography for 7239755--7239758.cif.	7239755.cif
246859	2020-01-15	cif/ Adding structures of 7239755, 7239756, 7239757, 7239758 via cif-deposit CGI script.	7239755.cif