Crystallography Open Database

Information card for entry 2018563

2018562 << 2018563 >> 2018564

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Coordinates	2018563.cif
Structure factors	2018563.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	di-μ-acetylamido-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>- di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[bis(pyridine-κ<i>N</i>)cobalt(III)] bis(perchlorate) acetonitrile disolvate
Formula	C28 H36 Cl2 Co2 N8 O12
Calculated formula	C28 H36 Cl2 Co2 N8 O12
SMILES	c1cccc[n]1[Co]1234([NH]=C(O[Co]4([OH]1)([NH]=C(O3)C)([n]1ccccc1)([n]1ccccc1)[OH]2)C)[n]1ccccc1.N#CC.[O-]Cl(=O)(=O)=O.N#CC.[O-]Cl(=O)(=O)=O
Title of publication	The first dinuclear cobalt complex bridged by acetylamidate ligands: di-μ-acetylamido-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>-di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[bis(pyridine-κ<i>N</i>)cobalt(III)] bis(perchlorate) acetonitrile disolvate
Authors of publication	Maass, John S.; Luck, Rudy L.; Zeller, Matthias
Journal of publication	Acta Crystallographica Section C
Year of publication	2012
Journal volume	68
Journal issue	8
Pages of publication	m233 - m234
a	10.6198 ± 0.0007 Å
b	10.244 ± 0.0007 Å
c	16.503 ± 0.001 Å
α	90°
β	92.167 ± 0.001°
γ	90°
Cell volume	1794.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
180854 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/85.	2018563.cif 2018563.hkl
176760	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.	2018563.cif 2018563.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018563.cif 2018563.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.	2018563.cif 2018563.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2018563.cif 2018563.hkl
65816	2012-09-06	cif/ Adding structures of 2018563 via cif-deposit CGI script.	2018563.cif