Crystallography Open Database

Information card for entry 7055683

Preview

Coordinates	7055683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H6 Cu N6 O8
Calculated formula	C10 H6 Cu N6 O8
Title of publication	Two energetic complexes incorporating 3,5-dinitrobenzoic acid and azole ligands: microwave-assisted synthesis, favorable detonation properties, insensitivity and effects on the thermal decomposition of RDX
Authors of publication	Yang, Qi; Ge, Jing; Gong, Qibing; Song, Xiaxia; Zhao, Jinwen; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	9
Pages of publication	7779
a	7.9317 ± 0.001 Å
b	8.7062 ± 0.001 Å
c	11.2388 ± 0.0015 Å
α	100.563 ± 0.002°
β	107.502 ± 0.002°
γ	104.506 ± 0.002°
Cell volume	687.88 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1134
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
186451 (current)	2016-09-10	cif/ Updating files of 7055682, 7055683 Original log message: Adding full bibliography for 7055682--7055683.cif.	7055683.cif
184335	2016-07-09	cif/ Adding structures of 7055682, 7055683 via cif-deposit CGI script.	7055683.cif