Information card for entry 2233785

Structure parameters

• Chemical name: [μ-Bis(diphenylphosphanyl)methane]tricarbonyl(μ-<i>p</i>- toluenesulfonylmethyl isocyanato)(triphenylphosphane)ironplatinum(<i>Fe</i>—<i>Pt</i>)
• Formula: C55 H46 Fe N O5 P3 Pt S
• Calculated formula: C55 H46 Fe N O5 P3 Pt S
• SMILES: C([Fe]12(C#[O])(C#[O])/C(=N\CS(=O)(=O)c3ccc(cc3)C)[Pt]2([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)#[O]
• Title of publication: [μ-Bis(diphenylphosphanyl)methane]tricarbonyl(μ-<i>p</i>-toluenesulfonylmethyl isocyanato)(triphenylphosphane)ironplatinum(<i>Fe</i>—<i>Pt</i>)
• Authors of publication: Jourdain, Isabelle; Knorr, Michael; Koller, Stephan G.; Strohmann, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m331 - m332
• a: 14.36 ± 0.004 Å
• b: 18.855 ± 0.006 Å
• c: 17.919 ± 0.005 Å
• α: 90°
• β: 96.5 ± 0.03°
• γ: 90°
• Cell volume: 4821 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes