Crystallography Open Database

Information card for entry 1551502

Preview

Coordinates	1551502.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu-SIP-3
Formula	C16 H6 Cu4 O16 S2
Calculated formula	C16 H6 Cu4 O16 S2
Title of publication	Chemically blockable transformation and ultraselective low-pressure gas adsorption in a non-porous metal organic framework
Authors of publication	Bo Xiao; Peter J. Byrne; Paul S. Wheatley; David S. Wragg; Xuebo Zhao; Ashleigh J. Fletcher; K. Mark Thomas; Lars Peters; John S. O. Evans; John E. Warren; Wuzong Zhou; Russell E. Morris
Journal of publication	Nature Chemistry
Year of publication	2009
Journal volume	1
Pages of publication	289 - 294
a	13.833 ± 0.006 Å
b	19.434 ± 0.012 Å
c	12.102 ± 0.007 Å
α	90°
β	139.16 ± 0.03°
γ	90°
Cell volume	2128 ± 2 Å³
Cell temperature	500 ± 2 K
Ambient diffraction temperature	500 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1176
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.1551
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.6911 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216104 (current)	2019-06-19	cif/ Adding structures of 1551502 via cif-deposit CGI script.	1551502.cif