Crystallography Open Database

Information card for entry 4510652

Preview

Coordinates	4510652.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3,4-diamino-5-(3,4-diamino-1,2,4-triazolium-5-yl)- 1,2,4-triazolium dichloride
Formula	C4 H10 Cl2 N10
Calculated formula	C4 H10 Cl2 N10
Title of publication	Short π-Stacking in N-Rich Ionic Aromatic Compounds
Authors of publication	Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	7
Pages of publication	3255
a	13.368 ± 0.007 Å
b	6.521 ± 0.003 Å
c	11.799 ± 0.005 Å
α	90°
β	102.41 ± 0.02°
γ	90°
Cell volume	1004.5 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1054
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.1958
Weighted residual factors for all reflections included in the refinement	0.2187
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179653 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/06.	4510652.cif
113105	2014-05-08	cif/ Adding structures of 4510652 via cif-deposit CGI script.	4510652.cif