Crystallography Open Database

Information card for entry 4303747

Preview

Coordinates	4303747.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Xanthdim][Cs(C7H7)]2
Formula	C89 H100 Cs2 N4 O
Calculated formula	C89 H100 Cs2 N4 O
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	26.3062 ± 0.001 Å
b	13.9347 ± 0.0005 Å
c	21.3637 ± 0.0007 Å
α	90°
β	91.916 ± 0.002°
γ	90°
Cell volume	7826.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	4303747.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303747.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303747.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303747.cif