Crystallography Open Database

Information card for entry 1573839

Preview

Coordinates	1573839.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	NU-2500
Formula	C27 H9 O18 Th2
Calculated formula	C27 H9 O18 Th2
Title of publication	Thorium metal-organic framework crystallization for efficient recovery from rare earth element mixtures.
Authors of publication	Gaidimas, Madeleine A.; Smoljan, Courtney S.; Ye, Zi-Ming; Stern, Charlotte L.; Malliakas, Christos D.; Kirlikovali, Kent O.; Farha, Omar K.
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	9
Pages of publication	3895 - 3903
a	13.6682 ± 0.00008 Å
b	13.6682 ± 0.00008 Å
c	13.6682 ± 0.00008 Å
α	90°
β	90°
γ	90°
Cell volume	2553.49 ± 0.03 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.175
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298149 (current)	2025-03-04	cif/ Updating files of 1573839 Original log message: Adding full bibliography for 1573839.cif.	1573839.cif
297569	2025-02-03	cif/ Adding structures of 1573839 via cif-deposit CGI script.	1573839.cif