Crystallography Open Database

Information card for entry 4119052

4119051 << 4119052 >> 4119053

Preview

Coordinates	4119052.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	silver 1,3-di(nitroimide)-1,2,3-triazolate
Chemical name	silver 1,3-di(nitroimide)-1,2,3-triazolate
Formula	C2 H2 Ag N7 O4
Calculated formula	C2 H2 Ag N7 O4
Title of publication	1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials
Authors of publication	Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	20827 - 20836
a	5.5785 ± 0.0006 Å
b	8.5311 ± 0.0007 Å
c	15.4048 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	733.13 ± 0.11 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0492
Weighted residual factors for all reflections included in the refinement	0.0508
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4119052.cif
76626	2013-03-20	cif/ Adding structures of 4119052 via cif-deposit CGI script.	4119052.cif