Crystallography Open Database

Information card for entry 7249674

Preview

Coordinates	7249674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H7 N12 Na O2
Calculated formula	C4 H7 N12 Na O2
Title of publication	Several energetic MOFs based on the N-rich energetic materials and alkali metals: towards high detonation performances and good stabilities
Authors of publication	Zhang, Guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	2
Pages of publication	277 - 283
a	12.5111 ± 0.0004 Å
b	6.5119 ± 0.0002 Å
c	26.0556 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2122.78 ± 0.11 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	5
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	0.0413
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298195 (current)	2025-03-04	cif/ Updating files of 7249673, 7249674, 7249675 Original log message: Adding full bibliography for 7249673--7249675.cif.	7249674.cif
296728	2024-12-07	cif/ Adding structures of 7249673, 7249674, 7249675 via cif-deposit CGI script.	7249674.cif