Crystallography Open Database

Information card for entry 4133317

Preview

Coordinates	4133317.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	UiO-68-Me
Formula	C2.62 H1.38 O0.67 Zr0.12
Calculated formula	C2.625 H1.375 O0.666667 Zr0.125
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	32.5979 ± 0.0005 Å
b	32.5979 ± 0.0005 Å
c	32.5979 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	34639.3 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.2011
Weighted residual factors for all reflections included in the refinement	0.2195
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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