Crystallography Open Database

Information card for entry 7703158

Preview

Coordinates	7703158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H15 N17 O7
Calculated formula	C5 H15 N17 O7
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	6.7723 ± 0.0003 Å
b	13.1291 ± 0.0005 Å
c	18.8628 ± 0.0008 Å
α	85.471 ± 0.003°
β	80.793 ± 0.004°
γ	82.3 ± 0.003°
Cell volume	1637.8 ± 0.12 Å³
Cell temperature	189.7 ± 1 K
Ambient diffraction temperature	189.7 ± 1 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	0.0416
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7703158.cif