Information card for entry 2202211

Structure parameters

• Chemical name: Bis[dicarbonyl(η^5^-cyclopentadienyl)ferrio](N,N- diisobutyldithiocarbamato)tin(II)
• Formula: C32 H46 Fe2 N2 O4 S4 Sn
• Calculated formula: C32 H46 Fe2 N2 O4 S4 Sn
• SMILES: C([Fe]1234([cH]5[cH]4[cH]3[cH]2[cH]15)([Sn](SC(=S)N(CC(C)C)CC(C)C)(SC(=S)N(CC(C)C)CC(C)C)[Fe]1234(C#[O])(C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15)C#[O])#[O]
• Title of publication: Bis[dicarbonyl(η^5^-cyclopentadienyl)ferrio](<i>N,N</i>-diisobutyldithiocarbamato)tin(II)
• Authors of publication: Chen, Bao-Hua; Li, Yi-Zhi; Ma, Yong-Xiang; Wu, Xiao-Li; Li, Ping-Ren
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: m223 - m224
• a: 21.8 ± 0.004 Å
• b: 11.587 ± 0.002 Å
• c: 16.886 ± 0.003 Å
• α: 90°
• β: 112.17 ± 0.03°
• γ: 90°
• Cell volume: 3950 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes