Crystallography Open Database

Information card for entry 1517151

Preview

Coordinates	1517151.cif

Structure parameters

Formula	C32 H32 N6 O9 Pd S2
Calculated formula	C32 H32 N6 O9 Pd S2
SMILES	c12c(cccc1)C(=O)N(S2(=O)=O)[Pd](N1C(=O)c2c(cccc2)S1(=O)=O)([n]1c(cccc1)NC(=O)C)[n]1c(cccc1)NC(=O)C.C1CCCO1
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	11.2764 ± 0.0008 Å
b	24.9568 ± 0.0018 Å
c	12.8667 ± 0.0008 Å
α	90°
β	110.826 ± 0.005°
γ	90°
Cell volume	3384.4 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.0761
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0507
Weighted residual factors for all reflections included in the refinement	0.0556
Goodness-of-fit parameter for all reflections included in the refinement	0.698
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
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.	1517151.cif
120419	2014-07-15	cif/ Adding structures of 1517151 via cif-deposit CGI script.	1517151.cif