Crystallography Open Database

Information card for entry 7249769

Preview

Coordinates	7249769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H34 N2 O16 U2
Calculated formula	C32 H34 N2 O16 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	8.8565 ± 0.0002 Å
b	9.0719 ± 0.0003 Å
c	11.6001 ± 0.0003 Å
α	73.5981 ± 0.0009°
β	86.2684 ± 0.0009°
γ	68.7753 ± 0.0009°
Cell volume	832.72 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.02
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for significantly intense reflections	0.0419
Weighted residual factors for all reflections included in the refinement	0.0426
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
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.	7249769.cif
297308	2025-01-14	cif/ Adding structures of 7249764, 7249765, 7249766, 7249767, 7249768, 7249769, 7249770 via cif-deposit CGI script.	7249769.cif