Crystallography Open Database

Information card for entry 1508373

Preview

Coordinates	1508373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H15 N11 O8
Calculated formula	C8 H15 N11 O8
SMILES	[O-]c1c(N(=O)=O)c([O-])c(N(=O)=O)cc1N(=O)=O.[NH2+]=C(N)NN.[NH2+]=C(N)NN
Title of publication	Molecular and Crystal Structure of a New High Energy Density Material: Aminoguanidinium-styphnate, [H2NNHC(NH2)2]2[C6HO2(NO2)3]
Authors of publication	Deblitz, Raik; Hrib, Cristian G.; Plenikowski, Georg; Edelmann, Frank T.
Journal of publication	Crystals
Year of publication	2012
Journal volume	2
Journal issue	1
Pages of publication	34 - 42
a	6.7224 ± 0.0003 Å
b	10.7473 ± 0.0004 Å
c	11.9604 ± 0.0005 Å
α	113.212 ± 0.004°
β	90.579 ± 0.003°
γ	99.815 ± 0.003°
Cell volume	779.68 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	0.862
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508373.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508373.cif
68913	2012-11-24	cif/ Adding structures of 1508373 via cif-deposit CGI script.	1508373.cif