Crystallography Open Database

Information card for entry 2232843

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Structure parameters

Chemical name	<i>catena</i>-Poly[[bis(2,4-dichlorobenzoato)bis(methanol- κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
Formula	C26 H22 Cl4 Co N2 O6
Calculated formula	C26 H22 Cl4 Co N2 O6
SMILES	[Co](OC(=O)c1c(Cl)cc(Cl)cc1)([OH]C)(OC(=O)c1c(Cl)cc(Cl)cc1)([OH]C)([n]1ccc(cc1)c1cc[n](cc1)[Co](OC(=O)c1c(Cl)cc(Cl)cc1)(OC(=O)c1c(Cl)cc(Cl)cc1)([OH]C)[OH]C)[n]1ccc(c2ccncc2)cc1
Title of publication	<i>catena</i>-Poly[[bis(2,4-dichlorobenzoato)bis(methanol-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
Authors of publication	Hyun, Min Young; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	12
Pages of publication	m1705
a	20.8405 ± 0.0016 Å
b	11.4228 ± 0.0009 Å
c	15.0728 ± 0.0012 Å
α	90°
β	127.479 ± 0.001°
γ	90°
Cell volume	2847.5 ± 0.4 Å³
Cell temperature	288 ± 2 K
Ambient diffraction temperature	288 ± 2 K
Number of distinct elements	6
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	0.0484
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181250 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/28.	2232843.cif 2232843.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2232843.cif 2232843.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2232843.cif 2232843.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2232843.cif 2232843.hkl
31968	2012-01-03	hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures.	2232843.cif 2232843.hkl
31724	2012-01-02	../uploads/cif-deposit/cod/cif Adding structures of 2232843 via cif-deposit CGI script.	2232843.cif