Crystallography Open Database

Information card for entry 1577447

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Original paper (by DOI)	HTML

Structure parameters

Chemical name	NU-2501
Formula	C9 H9 Lu O9
Calculated formula	C9 H9 Lu O9
Title of publication	Mapping the crystallization landscape of rare earth MOFs: a high-throughput investigation of structure, kinetics, and selectivity
Authors of publication	Gaidimas, Madeleine A.; Kim, Gyu-Hee; Ye, Zi-Ming; Magdalenski, Julian S.; Barker, Nathaniel M.; Mandal, Abhijoy; Darvish, Kourosh; Kirlikovali, Kent O.; Bernales, Varinia; Aspuru-Guzik, Alán; Malliakas, Christos D.; Farha, Omar K.
Journal of publication	Chemical Science
Year of publication	2026
a	12.4932 ± 0.0002 Å
b	6.46512 ± 0.0001 Å
c	13.0763 ± 0.0002 Å
α	90°
β	97.5605 ± 0.0015°
γ	90°
Cell volume	1046.99 ± 0.03 Å³
Cell temperature	110 ± 14 K
Ambient diffraction temperature	110 ± 14 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
306665 (current)	2026-06-27	cif/ Adding structures of 1577447, 1577448, 1577449, 1577450, 1577451 via cif-deposit CGI script.	1577447.cif