Crystallography Open Database

Information card for entry 4118590

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Coordinates	4118590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H8 Cu O4
Calculated formula	C22 H8 Cu O4
Title of publication	Metal-Organic Framework Materials with Ultrahigh Surface Areas: Is the Sky the Limit?
Authors of publication	Omar K. Farha; Ibrahim Eryazici; Nak Cheon Jeong; Brad G. Hauser; Christopher E. Wilmer; Amy A. Sarjeant; Randall Q. Snurr; SonBinh T. Nguyen; A. Özgür Yazaydin; Joseph T. Hupp
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	15016 - 15021
a	64.528 ± 0.01 Å
b	64.528 ± 0.01 Å
c	64.528 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	268686 ± 7 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	0.1568
Residual factor for significantly intense reflections	0.1083
Weighted residual factors for significantly intense reflections	0.2648
Weighted residual factors for all reflections included in the refinement	0.2896
Goodness-of-fit parameter for all reflections included in the refinement	0.86
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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