Crystallography Open Database

Information card for entry 4121463

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Coordinates	4121463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H6 O44.35 Zr6
Calculated formula	C24 H6 O44.35 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	35.0764 ± 0.001 Å
b	35.0764 ± 0.001 Å
c	35.0764 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	43156 ± 2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	4
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	0.0475
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1334
Weighted residual factors for all reflections included in the refinement	0.1431
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.7749 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179016 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/14.	4121463.cif
107796	2014-03-22	cif/ Adding structures of 4121463 via cif-deposit CGI script.	4121463.cif