Crystallography Open Database

Information card for entry 7115386

Preview

Coordinates	7115386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H40 K2 O Zn4
Calculated formula	C16 H40 K2 O Zn4
SMILES	[K+].[O]([Zn](CC)CC)([Zn](CC)CC)([Zn](CC)CC)[Zn](CC)CC.[K+]
Title of publication	Alkali metal oxides trapped by diethylzinc
Authors of publication	L. Zane Miller; Michael Shatruka; D. Tyler McQuade
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	8937
a	9.0272 ± 0.0018 Å
b	9.0272 ± 0.0018 Å
c	14.145 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1152.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	126
Hermann-Mauguin space group symbol	P 4/n n c
Hall space group symbol	-P 4a 2bc
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.038
Weighted residual factors for all reflections included in the refinement	0.043
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
180267 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/53.	7115386.cif
124268	2014-09-26	cif/ Adding structures of 7115385, 7115386, 7115387 via cif-deposit CGI script.	7115386.cif