Crystallography Open Database

Information card for entry 4132636

Preview

Coordinates	4132636.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Uio-66
Formula	C42.7 H25.4 O32.04 Zr6
Calculated formula	C42.72 H25.36 O32 Zr6
Title of publication	Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.
Authors of publication	Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	28
Pages of publication	8958 - 8964
a	20.7439 ± 0.0006 Å
b	20.7439 ± 0.0006 Å
c	20.7439 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	8926.3 ± 0.4 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 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	0.044
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7288 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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