Crystallography Open Database

Information card for entry 4121464

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Coordinates	4121464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H12 O34.7 Zr6
Calculated formula	C24 H12 O34.7 Zr6
Title of publication	Water adsorption in porous metal-organic frameworks and related materials.
Authors of publication	Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	11
Pages of publication	4369 - 4381
a	17.9309 ± 0.0004 Å
b	17.9309 ± 0.0004 Å
c	17.9309 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5765.1 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	4
Space group number	201
Hermann-Mauguin space group symbol	P n -3
Hall space group symbol	-P 2ab 2bc 3
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	1.249
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4121464.cif
107797	2014-03-22	cif/ Adding structures of 4121464 via cif-deposit CGI script.	4121464.cif