Crystallography Open Database

Information card for entry 4114363

Preview

Coordinates	4114363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Co3 N24 S6
Calculated formula	C18 H24 Co3 N24 S6
Title of publication	An Azide-Bridged Homospin Single-Chain Magnet: [Co(2,2'-bithiazoline)(N3)2]n
Authors of publication	Tian-Fu Liu; Dan Fu; Song Gao; Yuan-Zhu Zhang; Hao-Ling Sun; Gang Su; Yong-Jiang Liu
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	13976 - 13977
a	8.8037 ± 0.0006 Å
b	22.6796 ± 0.0015 Å
c	17.6793 ± 0.00012 Å
α	90°
β	102.919 ± 0.001°
γ	90°
Cell volume	3440.6 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1256
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	0.874
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
178914 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/43.	4114363.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114363.cif
67668	2012-10-02	cif/ Adding structures of 4114363 via cif-deposit CGI script.	4114363.cif