Crystallography Open Database

Information card for entry 7249690

Preview

Coordinates	7249690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H60 O38 Th6
Calculated formula	C84 H60 O38 Th6
Title of publication	Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers
Authors of publication	McCusker, Thomas L.; Vanagas, Nicole A.; Szymanowski, Jennifer E. S.; Surbella, Robert G.; Bertke, Jeffery A.; Arteaga, Ana; Knope, Karah E.
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	4
Pages of publication	507 - 515
a	24.309 ± 0.003 Å
b	17.216 ± 0.002 Å
c	17.183 ± 0.0019 Å
α	90°
β	134.903 ± 0.004°
γ	90°
Cell volume	5093.5 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.0996
Goodness-of-fit parameter for all reflections included in the refinement	1.241
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
298187 (current)	2025-03-04	cif/ Updating files of 7249690, 7249691, 7249692 Original log message: Adding full bibliography for 7249690--7249692.cif.	7249690.cif
296863	2024-12-14	cif/ Adding structures of 7249690, 7249691, 7249692 via cif-deposit CGI script.	7249690.cif