Crystallography Open Database

Information card for entry 4303748

Preview

Coordinates	4303748.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Xanthdim][K(THF)2]
Formula	C83 H114 K2 N4 O5
Calculated formula	C83 H114 K2 N4 O5
Title of publication	Peculiar Binding Modes of a Ligand with Two Adjacent β-Diiminato Binding Sites in Alkali and Alkaline-Earth Metal Chemistry
Authors of publication	Dirk F.-J. Piesik; Peter Haack; Sjoerd Harder; Christian Limberg
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	11259 - 11264
a	13.9189 ± 0.0002 Å
b	27.2842 ± 0.0005 Å
c	21.107 ± 0.0003 Å
α	90°
β	106.695 ± 0.001°
γ	90°
Cell volume	7677.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0809
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
179075 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/37.	4303748.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303748.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303748.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303748.cif