Crystallography Open Database

Information card for entry 7063485

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Coordinates	7063485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H Cs N6 O4
Calculated formula	C2 H Cs 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
Journal volume	48
Journal issue	41
Pages of publication	18014 - 18021
a	4.92 ± 0.0003 Å
b	8.99 ± 0.0006 Å
c	9.6109 ± 0.0005 Å
α	65.39 ± 0.006°
β	84.667 ± 0.004°
γ	75.517 ± 0.005°
Cell volume	374.17 ± 0.04 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.163
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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