Information card for entry 4350626

Structure parameters

• Formula: C60 H50 Co2 N2 O8 S8
• Calculated formula: C60 H50 Co2 N2 O8 S8
• SMILES: [n]1([Co]2345[O]=C(c6ccccc6)O[Co]2([n]2ccc(cc2)/C=C/C2=C(SC(S2)=C2SC(=C(S2)C)C)C)([O]=C(c2ccccc2)O3)(OC(c2ccccc2)=[O]5)[O]=C(c2ccccc2)O4)ccc(/C=C/C2=C(SC(S2)=C2SC(=C(S2)C)C)C)cc1
• Title of publication: Co(II)-Co(II) paddlewheel complex with a redox-active ligand derived from TTF.
• Authors of publication: Benbellat, Noura; Gavrilenko, Konstantin S.; Le Gal, Yann; Cador, Olivier; Golhen, Stéphane; Gouasmia, Abdelkrim; Fabre, Jean-Marc; Ouahab, Lahcène
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10440 - 10442
• a: 9.667 ± 0.003 Å
• b: 10.577 ± 0.003 Å
• c: 16.558 ± 0.004 Å
• α: 82.997 ± 0.014°
• β: 75.74 ± 0.014°
• γ: 62.635 ± 0.012°
• Cell volume: 1457.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No