Crystallography Open Database

Information card for entry 2311490

Preview

Coordinates	2311490.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[bis(nitrato-κ<i>O</i>)cobalt(II)]bis[μ-bis(pyridin-3-ylmethyl)sulfane-κ^2^<i>N</i>:<i>N</i>']]
Formula	C24 H24 Co N6 O6 S2
Calculated formula	C24 H24 Co N6 O6 S2
SMILES	[Co]1([n]2cccc(c2)CSCc2cccnc2)([n]2cccc(c2)CSCc2ccc[n](c2)[Co]([n]2cccc(c2)CSCc2ccc[n]1c2)(ON(=O)=O)ON(=O)=O)(ON(=O)=O)([n]1cccc(c1)CSCc1cccnc1)ON(=O)=O
Title of publication	Crystal structure of a looped-chain Co<sup>II</sup> coordination polymer: <i>catena</i>-poly[[bis-(nitrato-κ<i>O</i>)cobalt(II)]bis-[μ-bis-(pyridin-3-ylmeth-yl)sulfane-κ<sup>2</sup><i>N</i>:<i>N</i>']].
Authors of publication	Moon, Suk-Hee; Seo, Joobeom; Park, Ki-Min
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 11
Pages of publication	1700 - 1703
a	8.162 ± 0.0007 Å
b	8.8158 ± 0.0008 Å
c	9.5078 ± 0.0008 Å
α	98.531 ± 0.002°
β	109.218 ± 0.002°
γ	92.062 ± 0.002°
Cell volume	636.22 ± 0.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
245926 (current)	2019-12-25	cif/ Adding structures of 2311490 via cif-deposit CGI script.	2311490.cif