Crystallography Open Database

Information card for entry 7721097

Preview

Coordinates	7721097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H56 Cl4 N16 O32 Th U2
Calculated formula	C68 H56 Cl4 N16 O32 Th 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	13.3179 ± 0.0005 Å
b	10.8403 ± 0.0004 Å
c	31.2259 ± 0.0011 Å
α	90°
β	90.384 ± 0.001°
γ	90°
Cell volume	4508 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
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	0.0416
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.