Crystallography Open Database

Information card for entry 7115385

Preview

Coordinates	7115385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H30 Na2 O Zn3
Calculated formula	C12 H30 Na2 O Zn3
SMILES	C(C)[Zn]([O]([Zn](CC)CC)[Zn](CC)CC)CC.[Na+].[Na+]
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	8.7801 ± 0.0005 Å
b	8.7801 ± 0.0005 Å
c	43.327 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	2892.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.0257
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0514
Weighted residual factors for all reflections included in the refinement	0.0521
Goodness-of-fit parameter for all reflections included in the refinement	1.153
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.	7115385.cif
124268	2014-09-26	cif/ Adding structures of 7115385, 7115386, 7115387 via cif-deposit CGI script.	7115385.cif