Crystallography Open Database

Information card for entry 2232126

Preview

Coordinates	2232126.cif
Structure factors	2232126.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	{<i>N</i>'-[1-(2-Pyridyl)ethylidene-κ<i>N</i>]benzohydrazidato-κ^2^<i>N</i>',\ <i>O</i>}{<i>N</i>'-[1-(2-pyridyl)ethylidene-κ<i>N</i>]benzohydrazide-\ κ^2^<i>N</i>',<i>O</i>}copper(II) trichloroacetate
Formula	C30 H25 Cl3 Cu N6 O4
Calculated formula	C30 H25 Cl3 Cu N6 O4
SMILES	c1cccc2C(C)=[N]3N=C(c4ccccc4)O[Cu]453([n]12)[n]1ccccc1C(C)=[N]4NC(c1ccccc1)=[O]5.C(C(=O)[O-])(Cl)(Cl)Cl
Title of publication	{<i>N</i>'-[1-(2-Pyridyl)ethylidene-κ<i>N</i>]benzohydrazidato-κ^2^<i>N</i>',<i>O</i>}{<i>N</i>'-[1-(2-pyridyl)ethylidene-κ<i>N</i>]benzohydrazide-κ^2^<i>N</i>',<i>O</i>}copper(II) trichloroacetate
Authors of publication	Datta, Amitabha; Chuang, Nien-Tsu; Wen, Yun-Sheng; Huang, Jui-Hsien; Sheu, Shiann-Cherng
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	10
Pages of publication	m1388
a	8.3341 ± 0.0006 Å
b	13.047 ± 0.0009 Å
c	16.0729 ± 0.0012 Å
α	107.737 ± 0.001°
β	102.541 ± 0.001°
γ	95.259 ± 0.001°
Cell volume	1601.3 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.176
Weighted residual factors for all reflections included in the refinement	0.1888
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
181243 (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 2/23/21.	2232126.cif 2232126.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.	2232126.cif 2232126.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2232126.cif 2232126.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.	2232126.cif 2232126.hkl
29951	2011-11-08	hkl/ Adding the most recent Fobs data from the IUCr journals.	2232126.cif 2232126.hkl
29422	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 2232126 via cif-deposit CGI script.	2232126.cif