Crystallography Open Database

Information card for entry 7063480

Preview

Coordinates	7063480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H7 N6 Na O7
Calculated formula	C2 H7 N6 Na O7
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	3.5414 ± 0.0001 Å
b	30.1434 ± 0.0003 Å
c	8.6469 ± 0.0001 Å
α	90°
β	94.605 ± 0.001°
γ	90°
Cell volume	920.08 ± 0.03 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296629 (current)	2024-12-06	cif/ Updating files of 7063480, 7063481, 7063482, 7063483, 7063484, 7063485 Original log message: Adding full bibliography for 7063480--7063485.cif.	7063480.cif
295450	2024-10-12	cif/ Adding structures of 7063480, 7063481, 7063482, 7063483, 7063484, 7063485 via cif-deposit CGI script.	7063480.cif