Crystallography Open Database

Information card for entry 7061003

Preview

Coordinates	7061003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 K2 N8 O10
Calculated formula	C4 K2 N8 O10
Title of publication	Combining potassium with positive oxygen-balanced polynitropyrazole: a promising way to develop green primary explosives
Authors of publication	Guo, Benyue; Zhang, Xiya; Lin, Xiangyang; Huang, Haifeng; Yang, Jun
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	43
Pages of publication	20426 - 20431
a	10.7902 ± 0.0003 Å
b	12.9624 ± 0.0004 Å
c	17.946 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2510.05 ± 0.13 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0627
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
271189 (current)	2021-12-07	cif/ Updating files of 7061003, 7061004 Original log message: Adding full bibliography for 7061003--7061004.cif.	7061003.cif
269893	2021-10-12	cif/ Adding structures of 7061003, 7061004 via cif-deposit CGI script.	7061003.cif