Crystallography Open Database

Information card for entry 4122594

Preview

Coordinates	4122594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H6 O41.85 S2.4 Zr6
Calculated formula	C18 H6 O41.85 S2.4 Zr6
Title of publication	Superacidity in sulfated metal-organic framework-808.
Authors of publication	Jiang, Juncong; Gándara, Felipe; Zhang, Yue-Biao; Na, Kyungsu; Yaghi, Omar M.; Klemperer, Walter G.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	37
Pages of publication	12844 - 12847
a	35.324 ± 0.017 Å
b	35.324 ± 0.017 Å
c	35.324 ± 0.017 Å
α	90°
β	90°
γ	90°
Cell volume	44077 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1501
Weighted residual factors for all reflections included in the refinement	0.1662
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.7749 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4122594.cif
127071	2014-11-12	cif/ Updating files of 4122594 Original log message: Adding full bibliography for 4122594.cif.	4122594.cif
123555	2014-09-08	cif/ Adding structures of 4122594 via cif-deposit CGI script.	4122594.cif