Crystallography Open Database

Information card for entry 2311537

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Coordinates	2311537.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[dichloridobis(methanol-κ<i>O</i>)cobalt(II)]-μ-bis(pyridin-3-ylmethyl)sulfane-κ^2^<i>N</i>:<i>N</i>']
Formula	C14 H20 Cl2 Co N2 O2 S
Calculated formula	C14 H20 Cl2 Co N2 O2 S
SMILES	[Co](Cl)([OH]C)([n]1cc(ccc1)CSCc1c[n]([Co](Cl)([OH]C)(Cl)[OH]C)ccc1)(Cl)([OH]C)[n]1cc(ccc1)CSCc1cnccc1
Title of publication	Crystal structure of a zigzag Co<sup>II</sup> coordination polymer: <i>catena</i>-poly[[di-chlorido-bis-(methanol-κ<i>O</i>)cobalt(II)]-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 12
Pages of publication	1882 - 1884
a	11.419 ± 0.002 Å
b	13.363 ± 0.002 Å
c	12.119 ± 0.002 Å
α	90°
β	106.226 ± 0.004°
γ	90°
Cell volume	1775.6 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1278
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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
245965 (current)	2019-12-25	cif/ Adding structures of 2311537 via cif-deposit CGI script.	2311537.cif