Information card for entry 2201958

Structure parameters

• Common name: Undecacarbonyl(μ~4~-2-thiodithiobenzoato- κ^4^C,S,S',S'')(triphenylphosphine)tetrairon
• Formula: C36 H19 Fe4 O11 P S3
• Calculated formula: C36 H19 Fe4 O11 P S3
• SMILES: [Fe]12([Fe]3([S]2C23[S]31[Fe]1([Fe]3([S]1c1c2cccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Undecacarbonyl(μ~4~-2-thiodithiobenzoato- κ^4^C,<i>S,S</i>',S'')(triphenylphosphine)tetrafer
• Authors of publication: Laifa, El Adoui; Benali-Cherif, Nourredine; Berrah, Fadila
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: m80 - m82
• a: 9.725 ± 0.005 Å
• b: 17.954 ± 0.005 Å
• c: 22.885 ± 0.005 Å
• α: 90°
• β: 98.488 ± 0.005°
• γ: 90°
• Cell volume: 3952 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1107
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes