Crystallography Open Database

Information card for entry 1517149

Preview

Coordinates	1517149.cif

Structure parameters

Formula	C24 H20 N6 O6 Pd S2
Calculated formula	C24 H20 N6 O6 Pd S2
SMILES	[Pd](N1S(=O)(=O)c2c(C1=O)cccc2)(N1S(=O)(=O)c2c(C1=O)cccc2)([n]1ccccc1N)[n]1ccccc1N
Title of publication	Palladium(II) saccharinate (sac) and thiosaccharinate (tsac) complexes with 2-aminopyridine (2-ampy), 2-acetylaminopyridine (2-aampy) and 2-acetylaminopyrimidine (2-aampym) co-ligands: X-ray crystal structures of trans-[Pd(sac)2(ampy)2] and solvatomorphs trans-[Pd(sac)2(2-aampy)2].S (S = CHCl3, thf)
Authors of publication	Subhi A. Al-Jibori; Qusay K.A. Al-Jibori; Harry Schmidt; Kurt Merzweiler; Christoph Wagner; Graeme Hogarth
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	402
Pages of publication	69 - 74
a	7.992 ± 0.003 Å
b	8.493 ± 0.003 Å
c	10.489 ± 0.004 Å
α	84.691 ± 0.005°
β	71.313 ± 0.005°
γ	72.822 ± 0.005°
Cell volume	644.3 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0729
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1571
Weighted residual factors for all reflections included in the refinement	0.1652
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	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.	1517149.cif
120417	2014-07-15	cif/ Adding structures of 1517149 via cif-deposit CGI script.	1517149.cif