Crystallography Open Database

Information card for entry 7063484

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Coordinates	7063484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H6 N6 O6
Calculated formula	C2 H6.0002 N6 O6
Title of publication	Dinitromethyltetrazole (DNMT)-based energetic coordination polymers (ECPs) as lead-free primary explosives and laser initiators
Authors of publication	Guo, Jinkun; Huang, Shiliang; Wei, Liyuan; Lang, Qing; Hao, Wenjia; Xu, Yuangang; Liu, Yu; Lu, Ming
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	10.3881 ± 0.0003 Å
b	15.7906 ± 0.0004 Å
c	5.0603 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	830.06 ± 0.04 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.1496
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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