Information card for entry 2214411

Structure parameters

• Chemical name: Pentacarbonyl-1κ^2^C,2κ^3^C-(diphenylphosphine-1κP)(μ-2-propyl-2- azapropane-1,3-dithiolato-1κ^2^S,S':2κ^2^S,S')diiron(Fe—Fe)
• Formula: C22 H22 Fe2 N O5 P S2
• Calculated formula: C22 H22 Fe2 N O5 P S2
• SMILES: [Fe]12([Fe]3([S]1CN(C[S]23)CCC)(C#[O])(C#[O])C#[O])([PH](c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-(diphenylphosphine-1κ<i>P</i>)(μ-2-propyl-2-azapropane-1,3-dithiolato-1κ^2^<i>S</i>,<i>S</i>':2κ^2^<i>S</i>,<i>S</i>')diiron(<i>Fe</i>—<i>Fe</i>)
• Authors of publication: Zhen Wang; Jian-Hui Liu; Li-Cheng Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1959 - m1960
• a: 12.4627 ± 0.0015 Å
• b: 12.1985 ± 0.0015 Å
• c: 17.2573 ± 0.0002 Å
• α: 90°
• β: 90.162 ± 0.002°
• γ: 90°
• Cell volume: 2623.6 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0578
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes