Crystallography Open Database

Information card for entry 1557327

Preview

Coordinates	1557327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Cu N2 O6
Calculated formula	C16 H16 Cu N2 O6
SMILES	O[N]1=Cc2c(c(ccc2)OC)O[Cu]21Oc1c(cccc1OC)C=[N]2O
Title of publication	A Simplified Extractive Metallurgy Exercise to Demonstrate Selective Extraction of Copper
Authors of publication	Smellie, Iain A.; Abdelhamid, Yusra; Carpenter-Warren, Cameron L.; Cordes, David B.; Elliott, Clement; Lamorte, Sarah; Patterson, Iain L. J.; Sanders, William; Sandison, Iain P.; Slawin, Alexandra M. Z.; Stewart, Dominic M.; Walters, Samuel N.
Journal of publication	Journal of Chemical Education
Year of publication	2020
a	8.4484 ± 0.0007 Å
b	4.8581 ± 0.0004 Å
c	18.7404 ± 0.0015 Å
α	90°
β	94.79 ± 0.008°
γ	90°
Cell volume	766.48 ± 0.11 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0438
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
248240 (current)	2020-02-18	cif/ Adding structures of 1557327 via cif-deposit CGI script.	1557327.cif