Crystallography Open Database

Information card for entry 7063482

Preview

Coordinates	7063482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 N6 O4 Rb2
Calculated formula	C2 N6 O4 Rb2
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	10.05 ± 0.0002 Å
b	9.42575 ± 0.00016 Å
c	9.12606 ± 0.00018 Å
α	90°
β	90°
γ	90°
Cell volume	864.5 ± 0.03 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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