Crystallography Open Database

Information card for entry 4338815

Preview

Coordinates	4338815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 Cl4 Cu N2 O2
Calculated formula	C6 H18 Cl4 Cu N2 O2
SMILES	C(COCCOCC[NH3+])[NH3+].Cl[Cu](Cl)([Cl-])[Cl-]
Title of publication	Lithium cycling in a self-assembled copper chloride-polyether hybrid electrode.
Authors of publication	Jaffe, Adam; Karunadasa, Hemamala I.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	13
Pages of publication	6494 - 6496
a	23.6139 ± 0.0013 Å
b	7.5944 ± 0.0004 Å
c	7.6259 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1367.58 ± 0.13 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.028
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	1.0936
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179491 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/88.	4338815.cif
121142	2014-08-05	cif/ Updating files of 4338815 Original log message: Adding full bibliography for 4338815.cif.	4338815.cif
116442	2014-06-12	cif/ Adding structures of 4338815 via cif-deposit CGI script.	4338815.cif