Crystallography Open Database

Information card for entry 7249673

Preview

Coordinates	7249673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H3 Cs N12
Calculated formula	C4 H3 Cs N12
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	7.6704 ± 0.0002 Å
b	8.0941 ± 0.0003 Å
c	8.4392 ± 0.0003 Å
α	90.866 ± 0.001°
β	109.238 ± 0.001°
γ	92.487 ± 0.001°
Cell volume	493.98 ± 0.03 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0183
Residual factor for significantly intense reflections	0.0174
Weighted residual factors for significantly intense reflections	0.0434
Weighted residual factors for all reflections included in the refinement	0.0438
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
298195 (current)	2025-03-04	cif/ Updating files of 7249673, 7249674, 7249675 Original log message: Adding full bibliography for 7249673--7249675.cif.	7249673.cif
296728	2024-12-07	cif/ Adding structures of 7249673, 7249674, 7249675 via cif-deposit CGI script.	7249673.cif