Information card for entry 2224295

Structure parameters

• Chemical name: Tri-μ-ethanethiolato-bis{[η^5^-1,2,3,4-tetramethyl-5- (trimethylsilyl)cyclopentadienyl]iron(II,III)}(<i>Fe^II^</i>‒<i>Fe^III^</i>)
• Formula: C30 H57 Fe2 S3 Si2
• Calculated formula: C30 H57 Fe2 S3 Si2
• SMILES: [Fe]1234567([Fe]89%10%11([S]1CC)([S]2CC)([S]3CC)[c]1([Si](C)(C)C)[c]8([c]9([c]%10([c]%111C)C)C)C)[c]1([Si](C)(C)C)[c]4([c]5([c]6([c]71C)C)C)C
• Title of publication: Tri-μ-ethanethiolato-bis{[η^5^-1,2,3,4-tetramethyl-5-(trimethylsilyl)cyclopentadienyl]iron(II,III)}(<i>Fe^II^</i>‒<i>Fe^III^</i>)
• Authors of publication: Li, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1542
• a: 17.7426 ± 0.0019 Å
• b: 19.874 ± 0.002 Å
• c: 20.493 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7226.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0519
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes