Crystallography Open Database

Information card for entry 1551501

Preview

Coordinates	1551501.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu-SIP-3
Formula	C8 H9 Cu2 O11 S
Calculated formula	C8 H9 Cu2 O11 S
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	7.2806 ± 0.0005 Å
b	18.2421 ± 0.0011 Å
c	10.1075 ± 0.0006 Å
α	90°
β	94.886 ± 0.001°
γ	90°
Cell volume	1337.53 ± 0.15 Å³
Cell temperature	293 ± 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	0.0574
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.7103 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216103 (current)	2019-06-19	cif/ Adding structures of 1551501 via cif-deposit CGI script.	1551501.cif