Crystallography Open Database

Information card for entry 7249965

Preview

Coordinates	7249965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H8 N8 O6
Calculated formula	C4 H8 N8 O6
Title of publication	Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials
Authors of publication	Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	13
Pages of publication	1918 - 1926
a	3.6899 ± 0.0007 Å
b	13.747 ± 0.003 Å
c	9.3323 ± 0.0013 Å
α	90°
β	95.909 ± 0.01°
γ	90°
Cell volume	470.87 ± 0.15 Å³
Cell temperature	233 K
Ambient diffraction temperature	233 K
Number of distinct elements	4
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	0.0799
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1864
Weighted residual factors for all reflections included in the refinement	0.1925
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
298842 (current)	2025-04-05	cif/ Updating files of 7249960, 7249961, 7249962, 7249963, 7249964, 7249965, 7249966 Original log message: Adding full bibliography for 7249960--7249966.cif.	7249965.cif
297773	2025-02-20	cif/ Adding structures of 7249960, 7249961, 7249962, 7249963, 7249964, 7249965, 7249966 via cif-deposit CGI script.	7249965.cif