Information card for entry 2233040

Structure parameters

• Chemical name: Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-(4-iodophenyl isocyanide-1κ<i>C</i>)(μ-propane-1,3-dithiolato-1:2κ^4^<i>S</i>,<i>S</i>': <i>S</i>,<i>S</i>')iron(I)(<i>Fe</i>—<i>Fe</i>)
• Formula: C15 H10 Fe2 I N O5 S2
• Calculated formula: C15 H10 Fe2 I N O5 S2
• SMILES: [N](#C[Fe]12([Fe]3([S]1CCC[S]23)(C#[O])(C#[O])C#[O])(C#[O])C#[O])c1ccc(I)cc1
• Title of publication: Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-(4-iodophenyl isocyanide-1κ<i>C</i>)(μ-propane-1,3-dithiolato-1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>')iron(I)(<i>Fe</i>—<i>Fe</i>)
• Authors of publication: Zhu, Jinli; Tang, Yanfeng; Jiang, Guo -Min; Wang, Miao; Hua, Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1753 - m1754
• a: 7.729 ± 0.0003 Å
• b: 11.7215 ± 0.0005 Å
• c: 22.3974 ± 0.001 Å
• α: 90°
• β: 99.466 ± 0.001°
• γ: 90°
• Cell volume: 2001.47 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes