Crystallography Open Database

Information card for entry 2018686

2018685 << 2018686 >> 2018687

Preview

Coordinates	2018686.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-poly[[hexaaquacobalt(II)] [[diaquabis(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>'] [[triaqua(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>']]
Formula	C20 H38 Co3 N4 O23 S3
Calculated formula	C20 H38 Co3 N4 O23 S3
SMILES	[Co]([OH2])([OH2])([OH2])(OS(=O)(=O)[O-])([n]1ccc(cc1)c1ccncc1)[n]1ccc(cc1)c1cc[n](cc1)[Co]([OH2])([OH2])([OH2])OS(=O)(=O)[O-].[Co]([OH2])([OH2])(OS(=O)(=O)[O-])(OS(=O)(=O)[O-])([n]1ccc(cc1)c1ccncc1)[n]1ccc(cc1)c1cc[n](cc1)[Co]([OH2])([OH2])(OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]
Title of publication	A novel one-dimensional Co^II^ coordination polymer: <i>catena</i>-poly[[hexaaquacobalt(II)] [[diaquabis(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] [[triaqua(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']]
Authors of publication	Zhong, Kai-Long; Qian, Ming-Yi
Journal of publication	Acta Crystallographica Section C
Year of publication	2012
Journal volume	68
Journal issue	9
Pages of publication	m265 - m268
a	7.286 ± 0.0015 Å
b	11.246 ± 0.002 Å
c	11.462 ± 0.002 Å
α	72.21 ± 0.03°
β	73.57 ± 0.03°
γ	83.5 ± 0.03°
Cell volume	857.4 ± 0.3 Å³
Cell temperature	223.15 K
Ambient diffraction temperature	223.15 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.239
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2018686.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018686.cif
70314	2012-12-21	cif/ Adding structures of 2018686 via cif-deposit CGI script.	2018686.cif