Crystallography Open Database

Information card for entry 7063483

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Coordinates	7063483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H5 N5 O4
Calculated formula	C2 H5 N5 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
Journal volume	48
Journal issue	41
Pages of publication	18014 - 18021
a	6.2901 ± 0.0002 Å
b	7.7 ± 0.0002 Å
c	12.2839 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	594.96 ± 0.03 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	0.0415
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	1.132
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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