Information card for entry 2201969

Structure parameters

• Common name: Decacarbonyl(μ~4~-2-thiodithiobenzoato- κ^4^C,S,S',S'')bis(trimethyl phosphite)tetrafer
• Formula: C23 H22 Fe4 O16 P2 S3
• Calculated formula: C23 H22 Fe4 O16 P2 S3
• SMILES: [Fe]12([Fe]3(C#[O])(C#[O])(C#[O])C4([S]51[Fe]1([Fe]5([S]1c1c4cccc1)(C#[O])(C#[O])C#[O])([P](OC)(OC)OC)(C#[O])C#[O])[S]23)([P](OC)(OC)OC)(C#[O])C#[O]
• Title of publication: Decacarbonyl(μ~4~-2-thiodithiobenzoato- κ^4^C,<i>S,S</i>',<i>S</i>'')bis(trimethyl phosphite)tetrafer
• Authors of publication: Laifa, El Adoui; Benali-Cherif, Nourredine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: m283 - m285
• a: 16.439 ± 0.0002 Å
• b: 8.999 ± 0.0003 Å
• c: 23.975 ± 0.0002 Å
• α: 90°
• β: 96.529 ± 0.003°
• γ: 90°
• Cell volume: 3523.73 ± 0.13 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes