Crystallography Open Database

Information card for entry 1549739

Preview

Coordinates	1549739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H4.19 Al I0.82 O5
Calculated formula	C8 H4.184 Al I0.816 O5
Title of publication	Make room for iodine: systematic pore tuning of multivariate metal‒organic frameworks for the catalytic oxidation of hydroquinones using hypervalent iodine
Authors of publication	Tahmouresilerd, Babak; Larson, Patrick J.; Unruh, Daniel K.; Cozzolino, Anthony F.
Journal of publication	Catalysis Science & Technology
Year of publication	2018
Journal volume	8
Journal issue	17
Pages of publication	4349
a	16.501 ± 0.004 Å
b	6.6194 ± 0.0018 Å
c	13.21 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1442.9 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.1326
Residual factor for significantly intense reflections	0.127
Weighted residual factors for significantly intense reflections	0.3491
Weighted residual factors for all reflections included in the refinement	0.3533
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
227965 (current)	2019-11-17	cif/ Updating files of 1549739, 1549740 Original log message: Adding full bibliography for 1549739--1549740.cif.	1549739.cif
209300	2018-07-31	cif/ Adding structures of 1549739, 1549740 via cif-deposit CGI script.	1549739.cif