Crystallography Open Database

Information card for entry 4324445

Preview

Coordinates	4324445.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	diaminoguanidinium 2-methyl-5-nitriminotetrazolate
Chemical name	diaminoguanidinium 2-methyl-5-nitriminotetrazolate
Formula	C3 H11 N11 O2
Calculated formula	C3 H11 N11 O2
SMILES	O=N([O-])=Nc1nn(nn1)C.N(N)C(=[NH2+])NN
Title of publication	N-Rich Salts of 2-Methyl-5-nitraminotetrazole: Secondary Explosives with Low Sensitivities
Authors of publication	Tobias Fendt; Niko Fischer; Thomas M. Klapötke; Jörg Stierstorfer
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1447 - 1458
a	17.4021 ± 0.0014 Å
b	8.3403 ± 0.0007 Å
c	14.7111 ± 0.0013 Å
α	90°
β	111.581 ± 0.009°
γ	90°
Cell volume	1985.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	0.902
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
179347 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/44.	4324445.cif
178089	2016-03-10	cif/4 Fixing Z values and formulae	4324445.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324445.cif
41153	2012-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4324445 via cif-deposit CGI script.	4324445.cif