Information card for entry 2214467

Structure parameters

• Chemical name: Bis(μ-9-anthrylmethylthiolato)bis[tricarbonyliron(I)](Fe—Fe)
• Formula: C36 H22 Fe2 O6 S2
• Calculated formula: C36 H22 Fe2 O6 S2
• SMILES: [Fe]12([Fe]([S]1Cc1c3ccccc3cc3ccccc13)([S]2Cc1c2ccccc2cc2ccccc12)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Bis(μ-9-anthrylmethylthiolato)bis[tricarbonyliron(I)](<i>Fe{—</i>Fe})
• Authors of publication: Shang Gao; Xiao-Jun Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1996 - m1996
• a: 11.471 ± 0.004 Å
• b: 16.99 ± 0.006 Å
• c: 17.698 ± 0.006 Å
• α: 70.218 ± 0.004°
• β: 88.973 ± 0.004°
• γ: 86.239 ± 0.005°
• Cell volume: 3238.6 ± 1.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes