Crystallography Open Database

Information card for entry 1567882

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Coordinates	1567882.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	NU-1306
Formula	C87 H48 O32 U4
Calculated formula	C87 H48 O32 U4
Title of publication	Identification of a metastable uranium metal-organic framework isomer through non-equilibrium synthesis.
Authors of publication	Hanna, Sylvia L.; Debela, Tekalign T.; Mroz, Austin M.; Syed, Zoha H.; Kirlikovali, Kent O.; Hendon, Christopher H.; Farha, Omar K.
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	44
Pages of publication	13032 - 13039
a	20.902 ± 0.0001 Å
b	20.902 ± 0.0001 Å
c	20.902 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	9131.95 ± 0.08 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	215
Hermann-Mauguin space group symbol	P -4 3 m
Hall space group symbol	P -4 2 3
Residual factor for all reflections	0.0695
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1786
Weighted residual factors for all reflections included in the refinement	0.1825
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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