Crystallography Open Database

Information card for entry 7019734

7019733 << 7019734 >> 7019735

Preview

Coordinates	7019734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H17 Cu N3 O7
Calculated formula	C13 H17 Cu N3 O7
SMILES	C1(=O)C(C)=[N]2[Cu](O1)(OC(=N2)c1cc(c(cc1)N(=O)=O)C)([OH]C)[OH]C
Title of publication	Synthesis, characterisation and antitubercular activities of a series of pyruvate-containing aroylhydrazones and their Cu-complexes.
Authors of publication	Jamadar, Abeda; Duhme-Klair, Anne-K; Vemuri, Kiranmayi; Sritharan, Manjula; Dandawate, Prasad; Padhye, Subhash
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	30
Pages of publication	9192 - 9201
a	10.159 ± 0.003 Å
b	14.1559 ± 0.0007 Å
c	11.895 ± 0.002 Å
α	90°
β	114.11 ± 0.03°
γ	90°
Cell volume	1561.4 ± 0.6 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179901 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/97.	7019734.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019734.cif
64288	2012-08-12	cif/ Adding structures of 7019731, 7019732, 7019733, 7019734, 7019735 via cif-deposit CGI script.	7019734.cif