Crystallography Open Database

Information card for entry 4128817

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Coordinates	4128817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H4 Al O7.61
Calculated formula	C8 H5 Al O6.998
Title of publication	Cleaving Carboxyls: Understanding Thermally Triggered Hierarchical Pores in the Metal-Organic Framework MIL-121.
Authors of publication	Chen, Shoushun; Mukherjee, Soumya; Lucier, Bryan E. G.; Guo, Ying; Wong, Y. T. Angel; Terskikh, Victor V.; Zaworotko, Michael J.; Huang, Yining
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	36
Pages of publication	14257 - 14271
a	16.188 ± 0.005 Å
b	6.624 ± 0.002 Å
c	13.52 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1449.7 ± 0.9 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
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
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.1975
Goodness-of-fit parameter for all reflections included in the refinement	1.452
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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