Crystallography Open Database

Information card for entry 4121577

Preview

Coordinates	4121577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C115 H76 Al8 O41
Calculated formula	C115 H76 Al8 O41
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	18.878 ± 0.004 Å
b	18.878 ± 0.004 Å
c	37.043 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	13201 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.1055
Residual factor for significantly intense reflections	0.0887
Weighted residual factors for significantly intense reflections	0.2548
Weighted residual factors for all reflections included in the refinement	0.2736
Goodness-of-fit parameter for all reflections included in the refinement	1.168
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.95403 Å
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.	4121577.cif
110345	2014-04-18	cif/ Updating files of 4121577, 4121578 Original log message: Adding full bibliography for 4121577--4121578.cif.	4121577.cif
108582	2014-04-02	cif/ Adding structures of 4121577 via cif-deposit CGI script.	4121577.cif