Crystallography Open Database

Information card for entry 4067239

Preview

Coordinates	4067239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H50 K O4
Calculated formula	C40 H50 K O4
Title of publication	Alkali Metal-Stabilized 1,3,5-Triphenylbenzene Monoanions: Synthesis and Characterization of the Lithium, Sodium, and Potassium Complexes†
Authors of publication	Krieck, Sven; Görls, Helmar; Westerhausen, Matthias
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	24
Pages of publication	6790
a	10.7269 ± 0.0003 Å
b	16.5121 ± 0.0007 Å
c	19.7339 ± 0.0006 Å
α	90°
β	93.107 ± 0.002°
γ	90°
Cell volume	3490.2 ± 0.2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
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	0.1254
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1458
Weighted residual factors for all reflections included in the refinement	0.1733
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178563 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/72.	4067239.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067239.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067239.cif
34128	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067237, 4067238, 4067239 via cif-deposit CGI script.	4067239.cif