Crystallography Open Database

Information card for entry 2233690

Preview

Coordinates	2233690.cif
Structure factors	2233690.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[aquabis{4-[2-(2,4-dioxopentan-3-ylidene)hydrazin- 1-yl]benzoato-κ<i>O</i>}copper(II)]-μ-<i>N</i>,<i>N</i>-diethylpyridine- 3-carboxamide-κ^2^<i>N</i>^1^:<i>O</i>]
Formula	C34 H38 Cu N6 O10
Calculated formula	C34 H38 Cu N6 O10
SMILES	[Cu](OC(=O)c1ccc(NN=C(C(=O)C)C(=O)C)cc1)(OC(=O)c1ccc(NN=C(C(=O)C)C(=O)C)cc1)([OH2])([n]1cccc(c1)C(=O)N(CC)CC)[O]=C(N(CC)CC)c1ccc[n]([Cu]([OH2])(OC(=O)c2ccc(NN=C(C(=O)C)C(=O)C)cc2)OC(=O)c2ccc(NN=C(C(=O)C)C(=O)C)cc2)c1
Title of publication	<i>catena</i>-Poly[[aquabis{4-[2-(2,4-dioxopentan-3-ylidene)hydrazin-1-yl]benzoato-κ<i>O</i>}copper(II)]-μ-<i>N</i>,<i>N</i>-diethylpyridine-3-carboxamide-κ^2^<i>N</i>^1^:<i>O</i>]
Authors of publication	Maharramov, Abel M.; Mardanova, Vusala I.; Chyraqov, Famil M.; Gurbanov, Atash V.; Ng, Seik Weng
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	2
Pages of publication	m128
a	17.0586 ± 0.0008 Å
b	8.5289 ± 0.0004 Å
c	24.8249 ± 0.0012 Å
α	90°
β	101.431 ± 0.001°
γ	90°
Cell volume	3540.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.079
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1313
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
181258 (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 2/23/36.	2233690.cif 2233690.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.	2233690.cif 2233690.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2233690.cif 2233690.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.	2233690.cif 2233690.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2233690.cif 2233690.hkl
38504	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 2233690 via cif-deposit CGI script.	2233690.cif