Crystallography Open Database

Information card for entry 7058314

Preview

Coordinates	7058314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 N12 O10
Calculated formula	C8 N12 O10
Title of publication	C8N12O10: a promising energetic compound with excellent detonation performance and desirable sensitivity
Authors of publication	Xiong, Hualin; Cheng, Guangbin; Zhang, Zaichao; Yang, Hongwei
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	20
Pages of publication	7784
a	11.2116 ± 0.0012 Å
b	5.9944 ± 0.0008 Å
c	10.8652 ± 0.0011 Å
α	90°
β	95.429 ± 0.004°
γ	90°
Cell volume	726.94 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1349
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
224859 (current)	2019-11-08	cif/ Updating files of 7058313, 7058314 Original log message: Adding full bibliography for 7058313--7058314.cif.	7058314.cif
214711	2019-04-20	cif/ Adding structures of 7058313, 7058314 via cif-deposit CGI script.	7058314.cif