Information card for entry 1513199

Structure parameters

• Formula: C44 H38 Fe N4 O2 P2 Pt S2
• Calculated formula: C44 H38 Fe N4 O2 P2 Pt S2
• SMILES: [Pt]1([P]([c]23[cH]4[Fe]56789%102([cH]4[cH]5[cH]36)[c]2([cH]7[cH]8[cH]9[cH]%102)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(n1c(=NC(=O)C)scc1)n1c(scc1)=NC(=O)C
• 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: 12.422 ± 0.002 Å
• b: 23.007 ± 0.004 Å
• c: 17.388 ± 0.003 Å
• α: 90°
• β: 100.469 ± 0.003°
• γ: 90°
• Cell volume: 4886.6 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1395
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.2392
• Weighted residual factors for all reflections included in the refinement: 0.2644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No