Crystallography Open Database

Information card for entry 4118084

Preview

Coordinates	4118084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H8 Cu2 O10
Calculated formula	C28 H8 Cu2 O10
Title of publication	Designing Higher Surface Area Metal-Organic Frameworks: Are Triple Bonds Better Than Phenyls?
Authors of publication	Omar K. Farha; Christopher E. Wilmer; Ibrahim Eryazici; Brad G. Hauser; Philip A. Parilla; Kevin O'Neill; Amy A. Sarjeant; SonBinh T. Nguyen; Randall Q. Snurr; Joseph T. Hupp
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	9860 - 9863
a	48.893 ± 0.0016 Å
b	48.893 ± 0.0016 Å
c	48.893 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	116880 ± 7 Å³
Cell temperature	225 ± 2 K
Ambient diffraction temperature	225.04 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	0.0992
Residual factor for significantly intense reflections	0.0806
Weighted residual factors for significantly intense reflections	0.2519
Weighted residual factors for all reflections included in the refinement	0.2629
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178951 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/80.	4118084.cif
75229	2013-03-08	cif/ Adding structures of 4118084 via cif-deposit CGI script.	4118084.cif