Information card for entry 1513196

Structure parameters

• Formula: C41 H32 Cl Fe N O3 P2 Pd S
• Calculated formula: C41 H32 Cl Fe N O3 P2 Pd S
• SMILES: [Pd]1([P]([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([P]1(c1ccccc1)c1ccccc1)[cH]7[cH]8[cH]9[cH]%102)(c1ccccc1)c1ccccc1)(Cl)N1S(=O)(=O)c2c(C1=O)cccc2
• Title of publication: Platinum and palladium bis(diphenylphosphino)ferrocene (dppf) complexes with heterocyclic N-acetamide ligands: Synthesis and molecular structures of [MCl(sac)(k2-dppf)] (M = Pt, Pd, sac = saccharinate), [PtCl(ata)(k2-dppf)] and [Pt(ata)2(k2-dppf)] (ataH = N-(2-thiazolyl)acetamide
• Authors of publication: Subhi A. Al-Jibori; Amina I.A. Al-Nassiry; Graeme Hogarth; Luca Salassa
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 398
• Pages of publication: 46 - 53
• a: 10.4176 ± 0.0014 Å
• b: 16.197 ± 0.002 Å
• c: 21.507 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3629 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No