Crystallography Open Database

Information card for entry 4114364

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Structure parameters

Formula	C14 H12 Co N8
Calculated formula	C14 H12 Co N8
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	9.4795 ± 0.0019 Å
b	9.6597 ± 0.0019 Å
c	9.7248 ± 0.0019 Å
α	60.95 ± 0.03°
β	66.93 ± 0.03°
γ	73.92 ± 0.03°
Cell volume	712 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0939
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4114364.cif
178914	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.	4114364.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114364.cif
67669	2012-10-02	cif/ Adding structures of 4114364 via cif-deposit CGI script.	4114364.cif