Crystallography Open Database

Information card for entry 1512785

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Structure parameters

Formula	C37 H32 Cu2 N8 O11
Calculated formula	C37 H32 Cu2 N8 O11
SMILES	O=N(=O)O[Cu]12([O]=N3=[O][Cu]45(O3)OC(=N[N]4=C(c3[n]5cccc3)C)c3cc4ccccc4cc3O)OC(=N[N]1=C(c1[n]2cccc1)C)c1cc2ccccc2cc1O.CO
Title of publication	Intramolecular hydrogen bond effect on keto-enolization of aroylhydrazone in copper(II) complexes
Authors of publication	Hassan Hosseini-Monfared; Hannaneh Falakian; Rahman Bikas; Peter Mayer
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	526 - 534
a	7.899 ± 0.0001 Å
b	14.0172 ± 0.0003 Å
c	17.3344 ± 0.0003 Å
α	75.5 ± 0.0011°
β	77.3459 ± 0.0011°
γ	85.3559 ± 0.0008°
Cell volume	1812.34 ± 0.06 Å³
Cell temperature	173 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1512785.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512785.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512785.cif
90870	2013-11-20	cif/ Adding structures of 1512785 via cif-deposit CGI script.	1512785.cif