Crystallography Open Database

Information card for entry 7026919

Preview

Coordinates	7026919.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	catena-poly(bis(pyridine-kN)-bis(thiocyanato-kN,kS)-cobalt(ii)
Chemical name	catena-poly[bis(pyridine-kN)-bis(thiocyanato-kN,kS)-cobalt(II)
Formula	C12 H10 Co N4 S2
Calculated formula	C12 H10 Co N4 S2
Title of publication	Solid-state transformation of [Co(NCS)2(pyridine)4] into [Co(NCS)2(pyridine)2]n: from Curie-Weiss paramagnetism to single chain magnetic behaviour.
Authors of publication	Boeckmann, Jan; Näther, Christian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	45
Pages of publication	11019 - 11026
a	8.5816 ± 0.0013 Å
b	8.6752 ± 0.0012 Å
c	15.52 ± 0.002 Å
α	92.7 ± 0.017°
β	96.254 ± 0.017°
γ	114.754 ± 0.015°
Cell volume	1037.5 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0905
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1652
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
179975 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/69.	7026919.cif
93640	2014-01-13	cif/ Adding structures of 7026919 via cif-deposit CGI script.	7026919.cif