Crystallography Open Database

Information card for entry 7052808

Preview

Coordinates	7052808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H38 Cu2 N2 O6 P2 S4
Calculated formula	C16 H38 Cu2 N2 O6 P2 S4
SMILES	C1(N(CC)CC)=[S][Cu]2([P](OC)(OC)OC)[S]1[Cu]1([P](OC)(OC)OC)[S]=C(N(CC)CC)[S]21
Title of publication	Phosphine stabilized copper(i) complexes of dithiocarbamates and xanthates and their decomposition pathways
Authors of publication	Afzaal, Mohammad; Rosenberg, Chico L.; Malik, Mohammad A.; White, Andrew J. P.; O'Brien, Paul
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	12
Pages of publication	2773
a	10.7684 ± 0.0004 Å
b	11.9449 ± 0.0006 Å
c	11.2266 ± 0.0006 Å
α	90°
β	96.833 ± 0.002°
γ	90°
Cell volume	1433.79 ± 0.12 Å³
Cell temperature	203 K
Ambient diffraction temperature	203 K
Number of distinct elements	7
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	0.0393
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180082 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/28.	7052808.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052808.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052808.cif
31368	2011-12-13	../uploads/cif-deposit/cod/cif Adding structures of 7052808, 7052809, 7052810 via cif-deposit CGI script.	7052808.cif