Crystallography Open Database

Information card for entry 7032589

Preview

Coordinates	7032589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H60 Co N6 S2
Calculated formula	C58 H60 Co N6 S2
SMILES	C(=N[Co]([n]1ccc(cc1)CCCc1ccccc1)([n]1ccc(cc1)CCCc1ccccc1)(N=C=S)([n]1ccc(cc1)CCCc1ccccc1)[n]1ccc(cc1)CCCc1ccccc1)=S
Title of publication	A Co(ii) thiocyanato coordination polymer with 4-(3-phenylpropyl)pyridine: the influence of the co-ligand on the magnetic properties.
Authors of publication	Werner, Julia; Rams, Michał; Tomkowicz, Zbigniew; Näther, Christian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	46
Pages of publication	17333 - 17342
a	9.4597 ± 0.0007 Å
b	11.38 ± 0.0009 Å
c	13.1332 ± 0.001 Å
α	72.399 ± 0.009°
β	82.89 ± 0.009°
γ	70.483 ± 0.009°
Cell volume	1269.78 ± 0.19 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.058
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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
180031 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/25.	7032589.cif
126390	2014-11-06	cif/ Updating files of 7032589, 7032590 Original log message: Adding full bibliography for 7032589--7032590.cif.	7032589.cif
123910	2014-09-17	cif/ Adding structures of 7032589, 7032590 via cif-deposit CGI script.	7032589.cif