Crystallography Open Database

Information card for entry 4133318

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Coordinates	4133318.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	UiO-68-Cu
Formula	C90 H78 Cu3 N6 O22 Zr3
Calculated formula	C90 H78 Cu3 N6 O22 Zr3
Title of publication	Controlled Exchange of Achiral Linkers with Chiral Linkers in Zr-Based UiO-68 Metal-Organic Framework.
Authors of publication	Tan, Chunxia; Han, Xing; Li, Zijian; Liu, Yan; Cui, Yong
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	47
Pages of publication	16229 - 16236
a	32.0319 ± 0.0007 Å
b	32.0319 ± 0.0007 Å
c	32.0319 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	32866.1 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	209
Hermann-Mauguin space group symbol	F 4 3 2
Hall space group symbol	F 4 2 3
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.209
Weighted residual factors for all reflections included in the refinement	0.2172
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.82654 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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