Crystallography Open Database

Information card for entry 4514422

Preview

Coordinates	4514422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H4 N4
Calculated formula	H4 N4
SMILES	[NH4+].[N-]=N#N
Title of publication	A Safe and Scaled-Up Route to Inert Ammonia Oxide Hydroxylammonium Azide (H7N5O2), Hydrazinium Azide (H5N5), and Ammonium Azide (H4N4)
Authors of publication	Zhao, Gang; Kumar, Dheeraj; Hu, Lu; Shreeve, Jean’ne M.
Journal of publication	ACS Applied Energy Materials
Year of publication	2019
Journal volume	2
Journal issue	9
Pages of publication	6919
a	8.9331 ± 0.001 Å
b	3.7824 ± 0.0004 Å
c	8.6519 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	292.34 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	2
Space group number	53
Hermann-Mauguin space group symbol	P m n a
Hall space group symbol	-P 2ac 2
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	1.179
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
270074 (current)	2021-10-24	cif/4 Fixing Z values and formulae	4514422.cif
219526	2019-10-27	cif/ Adding structures of 4514422 via cif-deposit CGI script.	4514422.cif