Information card for entry 2218125

Structure parameters

• Chemical name: (Carbonyl-1κC)bis[1,2(η^5^)-cyclopentadienyl](μ~3~-S,S'-dimethyl trithiocarbonato-1:2:3κ^4^C,S'':C:C)(triphenylphosphine-1κP)(μ~3~-sulfido- 1:2:3κ^3^S)dicobalt(II)iron(II) trifluoromethanesulfonate
• Formula: C33 H28 Co2 F3 Fe O4 P S5
• Calculated formula: C33 H28 Co2 F3 Fe O4 P S5
• SMILES: C123SC(SC)=[S][Fe]453(C#[O])([P](c3ccccc3)(c3ccccc3)c3ccccc3)[S]3[Co]678914([cH]1[cH]6[cH]7[cH]8[cH]91)[Co]1467253[cH]2[cH]1[cH]4[cH]6[cH]72.FC(F)(F)S(=O)(=O)[O-]
• Title of publication: (Carbonyl-1κ<i>C</i>)bis[2,3(η^5^)-cyclopentadienyl][μ~3~-(<i>S</i>-methyl trithiocarbonato)methylidyne-1:2:3κ^4^<i>C</i>,<i>S</i>'':<i>C</i>:<i>C</i>](triphenylphosphine-1κ<i>P</i>)(μ~3~-sulfido-1:2:3κ^3^<i>S</i>)dicobalt(II)iron(II) trifluoromethanesulfonate
• Authors of publication: Manning, Anthony R.; McAdam, C. John; Palmer, Anthony J.; Simpson, Jim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m635 - m636
• a: 11.0403 ± 0.0006 Å
• b: 29.2183 ± 0.0014 Å
• c: 10.904 ± 0.0005 Å
• α: 90°
• β: 100.664 ± 0.003°
• γ: 90°
• Cell volume: 3456.7 ± 0.3 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 8
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes