Information card for entry 7215462

Structure parameters

• Formula: C26 H16 Co F12 N4 O4 S4
• Calculated formula: C26 H16 Co F12 N4 O4 S4
• SMILES: [Co]123([O]=C(C=C(O1)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)[n]1n(c(C2=CSC(S2)=C2SC(=C(S2)C)C)cn1)Cc1[n]3cccc1
• Title of publication: Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry
• Authors of publication: Biet, Thomas; Avarvari, Narcis
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 29
• Pages of publication: 6612
• a: 12.283 ± 0.0013 Å
• b: 12.898 ± 0.0015 Å
• c: 22.171 ± 0.004 Å
• α: 80.437 ± 0.012°
• β: 87.138 ± 0.011°
• γ: 89.403 ± 0.008°
• Cell volume: 3459.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2174
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No