Crystallography Open Database

Information card for entry 2239078

Preview

Structure parameters

Common name	1,1,4,7,7-Pentamethyldiethylenetriammonium trinitrate
Chemical name	Bis[2-(dimethylazaniumyl)ethyl](methyl)azanium trinitrate
Formula	C9 H26 N6 O9
Calculated formula	C9 H26 N6 O9
SMILES	[NH+](CC[NH+](CC[NH+](C)C)C)(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
Title of publication	1,1,4,7,7-Pentamethyldiethylenetriammonium trinitrate
Authors of publication	Gatfaoui, Sofian; Rzaigui, Mohamed; Marouani, Houda
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	o198
a	5.964 ± 0.002 Å
b	7.018 ± 0.001 Å
c	21.688 ± 0.002 Å
α	91.9 ± 0.02°
β	90.6 ± 0.02°
γ	102.45 ± 0.03°
Cell volume	885.8 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0982
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1629
Weighted residual factors for all reflections included in the refinement	0.1837
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.56083 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.