Crystallography Open Database

Information card for entry 7134830

Preview

Coordinates	7134830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H9 Cl N8
Calculated formula	C6 H9 Cl N8
Title of publication	Tetraamino-driven hydrogen-bonded networks: selective self-assembly of energetic materials.
Authors of publication	Wang, Yaxi; Liu, Junliang; He, Jinxuan; Ren, Xiaoting; Hu, Lu; Pang, Siping
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	71
Pages of publication	13433 - 13436
a	27.527 ± 0.004 Å
b	3.8158 ± 0.0005 Å
c	21.717 ± 0.003 Å
α	90°
β	128.059 ± 0.004°
γ	90°
Cell volume	1796.1 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0856
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.143
Weighted residual factors for all reflections included in the refinement	0.1627
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
302444 (current)	2025-10-06	cif/ Updating files of 7134829, 7134830, 7134831 Original log message: Adding full bibliography for 7134829--7134831.cif.	7134830.cif
301249	2025-07-15	cif/ Adding structures of 7134829, 7134830, 7134831 via cif-deposit CGI script.	7134830.cif