Crystallography Open Database

Information card for entry 7225500

Preview

Coordinates	7225500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H11 N11 O
Calculated formula	C3 H11 N11 O
SMILES	[O-]/N=N/c1nnn(C)n1.C(=[NH2+])(NN)NN
Title of publication	Nitrogen-rich hypergolic ionic salts based on (2-methyltetrazol-5-yl)diazotates
Authors of publication	chen, fuxue; Wang, Qi; Lu, Huijie; Pang, Fu-Qing; Huang, Jinglun; Nie, Fude
Journal of publication	RSC Adv.
Year of publication	2016
a	15.703 ± 0.005 Å
b	3.7767 ± 0.0011 Å
c	16.028 ± 0.005 Å
α	90°
β	100.331 ± 0.005°
γ	90°
Cell volume	935.1 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.0597
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
198632 (current)	2017-07-11	cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i \| cif_filter --no-exclude-publication-details -h $i \| sponge $i A total of 524 files were changed.	7225500.cif
183425	2016-06-11	cif/ Adding structures of 7225499, 7225500 via cif-deposit CGI script.	7225500.cif