Crystallography Open Database

Information card for entry 7033642

Preview

Coordinates	7033642.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Aminoguanidinium DNT
Formula	C3 H7 N9 O4
Calculated formula	C3 H7 N9 O4
Title of publication	Synthesis and structural characterization of 3,5-dinitro-1,2,4-triazolates.
Authors of publication	Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	7
Pages of publication	2978 - 2988
a	9.0616 ± 0.0003 Å
b	16.2452 ± 0.0005 Å
c	6.5935 ± 0.0002 Å
α	90°
β	110.189 ± 0.003°
γ	90°
Cell volume	910.98 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0884
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.2765
Weighted residual factors for all reflections included in the refinement	0.2846
Goodness-of-fit parameter for all reflections included in the refinement	1.22
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180042 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/36.	7033642.cif
133284	2015-03-06	cif/ Updating files of 7033635, 7033636, 7033637, 7033638, 7033639, 7033640, 7033641, 7033642, 7033643 Original log message: Adding full bibliography for 7033635--7033643.cif.	7033642.cif
129668	2015-01-15	cif/ Adding structures of 7033635, 7033636, 7033637, 7033638, 7033639, 7033640, 7033641, 7033642, 7033643 via cif-deposit CGI script.	7033642.cif