Crystallography Open Database

Information card for entry 1551503

Preview

Coordinates	1551503.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu-SIP-3-pyridine
Formula	C13 H10 Cu2 N O9 S
Calculated formula	C13 H10 Cu2 N O9 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	7.492 ± 0.004 Å
b	18.289 ± 0.009 Å
c	10.942 ± 0.006 Å
α	90°
β	90.778 ± 0.007°
γ	90°
Cell volume	1499.1 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.121
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.1869
Weighted residual factors for all reflections included in the refinement	0.2068
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.6942 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216105 (current)	2019-06-19	cif/ Adding structures of 1551503 via cif-deposit CGI script.	1551503.cif