Crystallography Open Database

Information card for entry 2236703

Preview

Coordinates	2236703.cif
Structure factors	2236703.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	(μ~2~-Chlorido)-(μ~2~-pyridine-2-carboxylato-1:2κ<i>N</i>,<i>O</i>:<i>O</i>) -dichlorido(ethanol-κ<i>O</i>)bis[<i>N</i>-hydroxy-1-(pyridin-2-yl)methanimine- κ^2^<i>N</i>,<i>N</i>']dicobalt(II)
Formula	C20 H22 Cl3 Co2 N5 O5
Calculated formula	C20 H22 Cl3 Co2 N5 O5
SMILES	[Co]12([O]3[Co]4([Cl]1)([n]1c(C3=O)cccc1)(Cl)[n]1ccccc1C=[N]4O)([n]1ccccc1C=[N]2O)(Cl)[OH]CC
Title of publication	(μ~2~-Chlorido)-(μ~2~-pyridine-2-carboxylato-1:2κ<i>N</i>,<i>O</i>:<i>O</i>)-dichlorido(ethanol-κ<i>O</i>)bis[<i>N</i>-hydroxy-1-(pyridin-2-yl)methanimine-κ^2^<i>N</i>,<i>N</i>']dicobalt(II)
Authors of publication	Chen, Lei
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	11
Pages of publication	m1365 - m1366
a	8.7443 ± 0.0017 Å
b	18.144 ± 0.004 Å
c	16.643 ± 0.003 Å
α	90°
β	99.23 ± 0.03°
γ	90°
Cell volume	2606.3 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.1652
Goodness-of-fit parameter for all reflections included in the refinement	1.181
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
181289 (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 2/23/67.	2236703.cif 2236703.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.	2236703.cif 2236703.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2236703.cif 2236703.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.	2236703.cif 2236703.hkl
74188	2013-02-22	hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013.	2236703.cif 2236703.hkl
70303	2012-12-21	cif/ Adding structures of 2236703 via cif-deposit CGI script.	2236703.cif