Information card for entry 2243526

Structure parameters

• Chemical name: {μ~2~-1,2-Bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2<i>C</i>^3^:<i>C</i>^1^}dicarbonyl-1κ^2^<i>C</i>-[μ~2~-methylenebis(diphenylphosphane)-1:2κ^2^<i>P</i>:<i>P</i>'](triphenylphosphane-2κ<i>P</i>)ironplatinum(<i>Fe</i>—<i>Pt</i>)
• Formula: C64 H55 Fe O3 P3 Pt S2
• Calculated formula: C64 H55 Fe O3 P3 Pt S2
• SMILES: [Pt]12([Fe]34([P](c5ccccc5)(c5ccccc5)C[P]1(c1ccccc1)c1ccccc1)([C]2(=[C]3(C4=O)CSc1ccc(cc1)C)CSc1ccc(cc1)C)(C#[O])C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of {μ~2~-1,2-bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2κ^2^<i>C</i>^3^:<i>C</i>^1^}dicarbonyl-1κ^2^<i>C</i>-[μ~2~-methylenebis(diphenylphosphane)-1:2κ^2^<i>P</i>:<i>P</i>'](triphenylphosphane-2κ<i>P</i>)ironplatinum(<i>Fe</i>—<i>Pt</i>), [(OC)~2~Fe(μ-dppm){μ-C(=O)C(4-MeC~6~H~4~SCH~2~)=CCH~2~SC~6~H~4~Me-4}Pt(PPh~3~)]
• Authors of publication: Mohamed, Ahmed Said; Jourdain, Isabelle; Knorr, Michael; Brieger, Lukas; Strohmann, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 7
• Pages of publication: 1087 - 1091
• a: 12.0071 ± 0.0006 Å
• b: 36.1737 ± 0.0015 Å
• c: 13.698 ± 0.0006 Å
• α: 90°
• β: 111.97 ± 0.005°
• γ: 90°
• Cell volume: 5517.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0568
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes