Crystallography Open Database

Information card for entry 1517150

Preview

Coordinates	1517150.cif

Structure parameters

Formula	C29 H25 Cl3 N6 O8 Pd S2
Calculated formula	C29 H25 Cl3 N6 O8 Pd S2
SMILES	C1(=O)c2c(cccc2)S(=O)(=O)N1[Pd](N1C(=O)c2c(cccc2)S1(=O)=O)([n]1c(cccc1)NC(=O)C)[n]1c(cccc1)NC(=O)C.C(Cl)(Cl)Cl
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	11.3994 ± 0.0004 Å
b	24.8507 ± 0.0008 Å
c	12.8085 ± 0.0005 Å
α	90°
β	111.332 ± 0.003°
γ	90°
Cell volume	3379.8 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
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	0.0573
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	0.894
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1517150.cif
120418	2014-07-15	cif/ Adding structures of 1517150 via cif-deposit CGI script.	1517150.cif