Information card for entry 1517151

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 ų
• 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 Fobs: No