Crystallography Open Database

Information card for entry 7056411

Preview

Coordinates	7056411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 N14 O10
Calculated formula	C4 H4 N14 O10
Title of publication	Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide
Authors of publication	Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	17
Pages of publication	9070 - 9076
a	12.264 ± 0.005 Å
b	20.048 ± 0.007 Å
c	12.605 ± 0.005 Å
α	90°
β	98.056 ± 0.017°
γ	90°
Cell volume	3069 ± 2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1142
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1469
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7056411.cif
198662	2017-07-12	cif/ Adding structures of 7056409, 7056410, 7056411, 7056412, 7056413, 7056414, 7056415, 7056416 via cif-deposit CGI script.	7056411.cif