Crystallography Open Database

Information card for entry 1577449

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Coordinates	1577449.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	NU-2503
Formula	C11 H7 O8 Yb
Calculated formula	C11 H7 O8 Yb
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	10.9117 ± 0.0019 Å
b	16.7852 ± 0.0017 Å
c	6.7375 ± 0.0008 Å
α	90°
β	102.767 ± 0.014°
γ	90°
Cell volume	1203.5 ± 0.3 Å³
Cell temperature	293 ± 5 K
Ambient diffraction temperature	293 ± 5 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	0.222
Residual factor for significantly intense reflections	0.1945
Weighted residual factors for significantly intense reflections	0.4489
Weighted residual factors for all reflections included in the refinement	0.4636
Goodness-of-fit parameter for all reflections included in the refinement	1.171
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.0251 Å
Diffraction radiation type	electron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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