Information card for entry 7212955

Structure parameters

• Formula: C22 H16 Ag N2 S8 Se8
• Calculated formula: C22 H16 Ag N2 S8 Se8
• SMILES: C1SC2=C(SC1)[Se]C([Se]2)=C1[Se]C2=C(SCCS2)[Se]1.C1SC2=C(SC1)[Se]C([Se]2)=C1[Se]C2=C(SCCS2)[Se]1.[Ag](C#N)C#N
• Title of publication: Preparation, crystal structures, EHT band calculations and physical properties of κ-(EDS-EDT-TTF)2[Ag2(CN)3] and α-(BETS)2Ag(CN)2
• Authors of publication: Golhen, Stéphane; Ouahab, Lahcène; Lebeuze, Albert; Bouayed, Mounir; Delhaes, Pierre; Kashimura, Yoshiaki; Kato, Reizo; Binet, Laurent; Fabre, Jean-Marc
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 1999
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 387
• a: 9.5839 ± 0.0008 Å
• b: 4.983 ± 0.003 Å
• c: 34.645 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1654.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.2658
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No