Crystallography Open Database

Information card for entry 7249692

Preview

Coordinates	7249692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87.28 H69.83 O40 U6
Calculated formula	C87.276 H69.828 O40 U6
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	15.8168 ± 0.0009 Å
b	24.7055 ± 0.0012 Å
c	23.9238 ± 0.0013 Å
α	90°
β	95.234 ± 0.002°
γ	90°
Cell volume	9309.5 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0542
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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.	7249692.cif
296863	2024-12-14	cif/ Adding structures of 7249690, 7249691, 7249692 via cif-deposit CGI script.	7249692.cif