Crystallography Open Database

Information card for entry 1508131

Preview

Coordinates	1508131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C480 H192 Cu24 O120
Calculated formula	C480 H192 Cu24 O120
Title of publication	De novo synthesis of a metal-organic framework material featuring ultrahigh surface area and gas storage capacities.
Authors of publication	Farha, Omar K.; Yazaydın, A Özgür; Eryazici, Ibrahim; Malliakas, Christos D.; Hauser, Brad G.; Kanatzidis, Mercouri G.; Nguyen, SonBinh T; Snurr, Randall Q.; Hupp, Joseph T.
Journal of publication	Nature chemistry
Year of publication	2010
Journal volume	2
Journal issue	11
Pages of publication	944 - 948
a	59.872 ± 0.002 Å
b	59.872 ± 0.002 Å
c	59.872 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	214621 ± 12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.2518
Residual factor for significantly intense reflections	0.138
Weighted residual factors for significantly intense reflections	0.2132
Weighted residual factors for all reflections included in the refinement	0.2692
Goodness-of-fit parameter for all reflections included in the refinement	1.244
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508131.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508131.cif
62677	2012-07-09	cif/ Adding structures of 1508131 via cif-deposit CGI script.	1508131.cif