Crystallography Open Database

Information card for entry 7246431

Preview

Coordinates	7246431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 N2 O2
Calculated formula	C4 H4 N2 O2
Title of publication	Improving the stability of hydrazinium pentazolate through cocrystallization
Authors of publication	Zhou, Jianxin; Li, Xinyi; Hou, Tianyang; Xu, Ze; Wang, Pengcheng; Lu, Ming; Xu, Yuangang
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	14
Pages of publication	2027 - 2031
a	3.7348 ± 0.001 Å
b	11.013 ± 0.003 Å
c	5.7044 ± 0.0014 Å
α	90°
β	96.47 ± 0.01°
γ	90°
Cell volume	233.14 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
282312 (current)	2023-04-04	cif/ Updating files of 7246430, 7246431 Original log message: Adding full bibliography for 7246430--7246431.cif.	7246431.cif
281829	2023-03-12	cif/ Adding structures of 7246430, 7246431 via cif-deposit CGI script.	7246431.cif