Crystallography Open Database

Information card for entry 7718321

Preview

Coordinates	7718321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C165 H302 N44 O54 U2
Calculated formula	C51 H36 N6 O16 U2
Title of publication	A uranyl-based metal-organic framework featuring an eight-connected U<sub>4</sub>L<sub>2</sub> cage for guest capture.
Authors of publication	Deng, Shuang; Huang, Zhi-Wei; Fu, Xuan; Zhou, Zhi-Heng; Guo, Zhi-Ren; Mei, Lei; Yu, Ji-Pan; Zhu, Yan-Qiu; Wang, Nan-Nan; Hu, Kong-Qiu; Shi, Wei-Qun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	15
Pages of publication	6239 - 6245
a	39.072 ± 0.002 Å
b	39.072 ± 0.002 Å
c	28.851 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	44045 ± 6 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	138
Hermann-Mauguin space group symbol	P 42/n c m :2
Hall space group symbol	-P 4ac 2ac
Residual factor for all reflections	0.1099
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.2262
Weighted residual factors for all reflections included in the refinement	0.2617
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
300909 (current)	2025-07-06	cif/ Updating files of 7718321 Original log message: Adding full bibliography for 7718321.cif.	7718321.cif
298430	2025-03-14	cif/ Adding structures of 7718321 via cif-deposit CGI script.	7718321.cif