Crystallography Open Database

Information card for entry 7249767

Preview

Coordinates	7249767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 N2 O17 U2
Calculated formula	C38 H36 N2 O17 U2
Title of publication	Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates
Authors of publication	Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	7
Pages of publication	1034 - 1043
a	11.235 ± 0.0004 Å
b	13.3313 ± 0.0005 Å
c	14.3587 ± 0.0005 Å
α	90°
β	109.338 ± 0.0016°
γ	90°
Cell volume	2029.27 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0323
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.349
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298204 (current)	2025-03-04	cif/ Updating files of 7249764, 7249765, 7249766, 7249767, 7249768, 7249769, 7249770 Original log message: Adding full bibliography for 7249764--7249770.cif.	7249767.cif
297308	2025-01-14	cif/ Adding structures of 7249764, 7249765, 7249766, 7249767, 7249768, 7249769, 7249770 via cif-deposit CGI script.	7249767.cif