Crystallography Open Database

Information card for entry 4118891

Preview

Coordinates	4118891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 N4 Zn
Calculated formula	C6 H6 N4 Zn
Title of publication	Opening ZIF-8: A Catalytically Active Zeolitic Imidazolate Framework of Sodalite Topology with Unsubstituted Linkers
Authors of publication	Olga Karagiaridi; Marianne B. Lalonde; Wojciech Bury; Amy A. Sarjeant; Omar K. Farha; Joseph T. Hupp
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	18790 - 18796
a	16.8303 ± 0.0002 Å
b	16.8303 ± 0.0002 Å
c	16.8303 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4767.33 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.01 K
Number of distinct elements	4
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.0269
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178959 (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 4/11/88.	4118891.cif
76457	2013-03-19	cif/ Adding structures of 4118891 via cif-deposit CGI script.	4118891.cif