Crystallography Open Database

Information card for entry 7063481

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Coordinates	7063481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H K N6 O4
Calculated formula	C2 H K N6 O4
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	4.8171 ± 0.0001 Å
b	9.132 ± 0.0002 Å
c	7.6157 ± 0.0001 Å
α	90°
β	92.019 ± 0.002°
γ	90°
Cell volume	334.805 ± 0.011 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0781
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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