Crystallography Open Database

Information card for entry 7721098

Preview

Coordinates	7721098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H96 Cl4 N16 O32 Th U2
Calculated formula	C74 H96 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	31.6621 ± 0.0012 Å
b	19.803 ± 0.0008 Å
c	32.2455 ± 0.0011 Å
α	90°
β	93.924 ± 0.001°
γ	90°
Cell volume	20170.7 ± 1.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	7721098.cif