Crystallography Open Database

Information card for entry 4135602

Preview

Coordinates	4135602.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	sodium nitrocarbamoylazide monohydrate
Chemical name	sodium nitrocarbamoylazide monohydrate
Formula	C H2 N5 Na O4
Calculated formula	C H2 N5 Na O4
Title of publication	Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.
Authors of publication	Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg
Journal of publication	Journal of the American Chemical Society
Year of publication	2021
Journal volume	143
Journal issue	3
Pages of publication	1323 - 1327
a	11.9484 ± 0.0009 Å
b	3.6295 ± 0.0002 Å
c	14.0899 ± 0.001 Å
α	90°
β	105.13 ± 0.008°
γ	90°
Cell volume	589.85 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0392
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
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
261473 (current)	2021-02-04	cif/ Adding structures of 4135601, 4135602, 4135603, 4135604, 4135605, 4135606, 4135607, 4135608 via cif-deposit CGI script.	4135602.cif