Crystallography Open Database

Information card for entry 7721100

Preview

Coordinates	7721100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 Cl2 N8 O18 U2
Calculated formula	C30 H40 Cl2 N8 O18 U2
Title of publication	Competitive Coordination of Uranium(VI) and Thorium(IV) by Tetradentate Phenanthroline Ligands: Structural and Spectroscopic Investigation of U(VI)-Th(IV) Mixed Ion Pair Formation
Authors of publication	Gutorova, Svetlana; Matveev, Petr I.; Evsiunina, Mariia V.; Wang, Qiushi; Lemport, Pavel S.; Kalle, Paulina; Koshelev, Daniil S.; Utochnikova, Valentina V.; Averin, Alexey A.; Poliakova, Tatiana R.; Gerasimov, Mikhail A.; Petrov, Vladimir G.; Ustynyuk, Yuri; Kalmykov, Stepan; Nenajdenko, Valentine
Journal of publication	Dalton Transactions
Year of publication	2026
a	16.0546 ± 0.0016 Å
b	16.1875 ± 0.0014 Å
c	18.9986 ± 0.0019 Å
α	90°
β	112.367 ± 0.003°
γ	90°
Cell volume	4566 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0995
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.2096
Weighted residual factors for all reflections included in the refinement	0.2336
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
306222 (current)	2026-06-05	cif/ Adding structures of 7721095, 7721096, 7721097, 7721098, 7721099, 7721100 via cif-deposit CGI script.	7721100.cif