Information card for entry 4350627

Structure parameters

• Formula: C16 H16 N O0.5 S4
• Calculated formula: C16 H15 N O0.5 S4
• SMILES: S1C(=C(SC1=C1SC(=C(S1)/C=C/c1ccncc1)C)C)C.O
• 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: 13.9701 ± 0.0004 Å
• b: 5.9781 ± 0.0002 Å
• c: 20.6898 ± 0.0006 Å
• α: 90°
• β: 99.708 ± 0.002°
• γ: 90°
• Cell volume: 1703.16 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No