Crystallography Open Database

Information card for entry 1561881

Preview

Coordinates	1561881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 Cu4 I4 N6 O4
Calculated formula	C22 H22 Cu4 I4 N6 O4
SMILES	c12nc(ccc2)C2OCC[N]=2[Cu]2345[Cu]678([I][Cu]947([I]6)[Cu]58([I]2)([I]3)[N]2=C(c3cccc(n3)C3OCC[N]9=3)OCC2)[N]2=C1OCC2
Title of publication	Syntheses, characterization and properties of silver, copper and palladium complexes from bis(oxazoline)-containing ligands
Authors of publication	Kuai, Hai-Wei; Cheng, Xiao-Chun; Li, Deng-Hao; Hu, Tao; Zhu, Xiao-Hong
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	228
Pages of publication	65 - 75
a	17.642 ± 0.005 Å
b	21.495 ± 0.005 Å
c	7.95 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	3015 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
264290 (current)	2021-04-19	cif/ Adding structures of 1561879, 1561880, 1561881, 1561882, 1561883, 1561884 via cif-deposit CGI script.	1561881.cif