Crystallography Open Database

Information card for entry 4108537

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Coordinates	4108537.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MIL-53 ortho-cymene
Formula	C8 H5 Al O5
Calculated formula	C20.516 Al O
Title of publication	Selective Adsorption and Separation of ortho-Substituted Alkylaromatics with the Microporous Aluminum Terephthalate MIL-53
Authors of publication	Luc Alaerts; Michael Maes; Lars Giebeler; Pierre A. Jacobs; Johan A. Martens; Joeri F. M. Denayer; Christine E. A. Kirschhock; Dirk E. De Vos
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	14170 - 14178
a	6.63378 ± 0.00022 Å
b	16.2884 ± 0.0006 Å
c	13.4909 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1457.74 ± 0.09 Å³
Number of distinct elements	4
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Goodness-of-fit parameter for all reflections	4.87
Method of determination	powder diffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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