Crystallography Open Database

Information card for entry 7703157

Preview

Coordinates	7703157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H16.44 N19 O6.72
Calculated formula	C5 H16.444 N19 O6.722
Title of publication	A facile synthesis of energetic salts based on fully nitroamino-functionalized [1,2,4]triazolo[4,3-b][1,2,4]triazole.
Authors of publication	Bian, Chengming; Feng, Wenjing; Lei, Qunying; Huang, Haifeng; Li, Xia; Wang, Jianlong; Li, Chuan; Xiao, Zhongliang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	2
Pages of publication	368 - 374
a	7.3254 ± 0.0007 Å
b	12.5221 ± 0.0013 Å
c	19.344 ± 0.0019 Å
α	90°
β	100.786 ± 0.004°
γ	90°
Cell volume	1743.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 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	0.0799
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
246463 (current)	2020-01-03	cif/ Adding structures of 7703157, 7703158, 7703159 via cif-deposit CGI script.	7703157.cif