Information card for entry 2232278

Structure parameters

• Chemical name: μ-Propane-1,3-dithiolato-κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'- bis[dicarbonyl(triphenylphosphane-κ<i>P</i>)iron(II)](<i>Fe</i>—<i>Fe</i>)
• Formula: C43 H36 Fe2 O4 P2 S2
• Calculated formula: C43 H36 Fe2 O4 P2 S2
• SMILES: [Fe]12([Fe]3([P](c4ccccc4)(c4ccccc4)c4ccccc4)([S]1CCC[S]23)(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: μ-Propane-1,3-dithiolato-κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'-bis[dicarbonyl(triphenylphosphane-κ<i>P</i>)iron(II)](<i>Fe</i>—<i>Fe</i>)
• Authors of publication: Yin, Bang-Shao; Li, Tian-Bao; Yang, Ming-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1502
• a: 9.139 ± 0.005 Å
• b: 13.48 ± 0.005 Å
• c: 16.786 ± 0.01 Å
• α: 77.773 ± 0.019°
• β: 89.5 ± 0.02°
• γ: 71.187 ± 0.018°
• Cell volume: 1909.1 ± 1.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes