Crystallography Open Database

Information card for entry 2232330

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Structure parameters

Chemical name	Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis{[<i>N</i>-(4- methylphenyl)pyridin-2-amine-κ<i>N</i>^1^]copper(II)}(<i>Cu</i>—<i>Cu</i>)
Formula	C32 H36 Cu2 N4 O8
Calculated formula	C32 H36 Cu2 N4 O8
SMILES	C1(C)=[O][Cu]234([n]5ccccc5Nc5ccc(cc5)C)[O]=C(C)O[Cu]2(O1)([n]1ccccc1Nc1ccc(cc1)C)([O]=C(C)O3)OC(C)=[O]4
Title of publication	Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis{[<i>N</i>-(4-methylphenyl)pyridin-2-amine-κ<i>N</i>^1^]copper(II)}(<i>Cu</i>—<i>Cu</i>)
Authors of publication	Fairuz, Zainal Abidin; Aiyub, Zaharah; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	11
Pages of publication	m1636
a	7.6285 ± 0.0009 Å
b	11.3242 ± 0.0013 Å
c	18.566 ± 0.002 Å
α	90°
β	95.717 ± 0.002°
γ	90°
Cell volume	1595.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0965
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.1983
Weighted residual factors for all reflections included in the refinement	0.2085
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
181245 (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 2/23/23.	2232330.cif 2232330.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.	2232330.cif 2232330.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2232330.cif 2232330.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.	2232330.cif 2232330.hkl
31968	2012-01-03	hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures.	2232330.cif 2232330.hkl
30985	2011-12-12	../uploads/cif-deposit/cod/cif Adding structures of 2232330 via cif-deposit CGI script.	2232330.cif