Information card for entry 2209204

Structure parameters

• Chemical name: Di-μ~2~-carbonyl-octacarbonyl[μ~2~-η^2^,η^2^-N-cyclohexyl-N-(2- thienylmethylene)amido]tetrairon
• Formula: C32 H28 Fe4 N2 O10 S2
• Calculated formula: C32 H28 Fe4 N2 O10 S2
• SMILES: [Fe]12([Fe]34567([Fe]89%10%11([Fe]%12([C]%138=[C]9([CH]%10=[N]%11%12C8CCCCC8)SC=C%13)(C#[O])(C#[O])C#[O])(C#[O])(C6=O)C7=O)([C]61=[C]3(SC=C6)[CH]4=[N]25C1CCCCC1)C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Di-μ~2~-carbonyl-octacarbonyl[μ~2~-η^2^,η^2^-<i>N</i>-cyclohexyl-<i>N</i>-(2-thienylmethylene)amine]tetrairon(0)
• Authors of publication: Imhof, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1350 - m1352
• a: 21.924 ± 0.004 Å
• b: 13.52 ± 0.002 Å
• c: 23.743 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7038 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.162
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes