Crystallography Open Database

Information card for entry 4121578

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Coordinates	4121578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C216 H60 Al8 O56
Calculated formula	C216 H60 Al8 O56
Title of publication	High methane storage capacity in aluminum metal-organic frameworks.
Authors of publication	Gándara, Felipe; Furukawa, Hiroyasu; Lee, Seungkyu; Yaghi, Omar M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	14
Pages of publication	5271 - 5274
a	19.28 ± 0.001 Å
b	19.28 ± 0.001 Å
c	36.03 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	13393 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	94
Hermann-Mauguin space group symbol	P 42 21 2
Hall space group symbol	P 4n 2n
Residual factor for all reflections	0.1222
Residual factor for significantly intense reflections	0.1112
Weighted residual factors for significantly intense reflections	0.2792
Weighted residual factors for all reflections included in the refinement	0.2892
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.8903 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179017 (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 4/12/15.	4121578.cif
110345	2014-04-18	cif/ Updating files of 4121577, 4121578 Original log message: Adding full bibliography for 4121577--4121578.cif.	4121578.cif
108583	2014-04-02	cif/ Adding structures of 4121578 via cif-deposit CGI script.	4121578.cif