Crystallography Open Database

Information card for entry 2227487

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Structure parameters

Chemical name	Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis{[<i>N</i>-(4-chlorophenyl)-4- methylpyridin-2-amine-κ<i>N</i>^1^]copper(II)}
Formula	C32 H34 Cl2 Cu2 N4 O8
Calculated formula	C32 H34 Cl2 Cu2 N4 O8
SMILES	C1(C)=[O][Cu]234([Cu]([n]5ccc(cc5Nc5ccc(cc5)Cl)C)(O1)([O]=C(C)O3)(OC(C)=[O]2)[O]=C(C)O4)[n]1ccc(cc1Nc1ccc(cc1)Cl)C
Title of publication	Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis{[<i>N</i>-(4-chlorophenyl)-4-methylpyridin-2-amine-κ<i>N</i>^1^]copper(II)}
Authors of publication	Fairuz, Zainal A.; Aiyub, Zaharah; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	9
Pages of publication	m1049 - m1050
a	11.743 ± 0.0017 Å
b	15.619 ± 0.002 Å
c	9.9866 ± 0.0014 Å
α	90°
β	109.901 ± 0.002°
γ	90°
Cell volume	1722.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.096
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.151
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
301805 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure.	2227487.cif 2227487.hkl
181195	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/74.	2227487.cif 2227487.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2227487.cif 2227487.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2227487.cif 2227487.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.	2227487.cif 2227487.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2227487.cif 2227487.hkl
5269	2010-12-22	hkl/ Adding Fobs data for the recent IUCr-published structres.	2227487.cif 2227487.hkl
4524	2010-12-17	../uploads/cif-deposit/cod/cif Adding structures of 2227487 via cif-deposit CGI script.	2227487.cif