Information card for entry 4030952

Structure parameters

• Formula: C23 H12 Au N6 S11
• Calculated formula: C23 H12 Au N6 S11
• SMILES: [Au]12(SC(=C(S2)C#N)C#N)SC(=C(S1)C#N)C#N.S1C(Sc2c1sc(C)c2)=C1SC(=C(S1)SCCC#N)SCCC#N
• Title of publication: TTFs nonsymmetrically fused with alkylthiophenic moieties.
• Authors of publication: Silva, Rafaela A. L.; Vieira, Bruno J. C.; Andrade, Marta M.; Santos, Isabel C.; Rabaça, Sandra; Belo, Dulce; Almeida, Manuel
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2015
• Journal volume: 11
• Pages of publication: 628 - 637
• a: 7.253 ± 0.0001 Å
• b: 8.3877 ± 0.0001 Å
• c: 26.2705 ± 0.0004 Å
• α: 86.235 ± 0.001°
• β: 86.176 ± 0.001°
• γ: 71.72 ± 0.001°
• Cell volume: 1512.47 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0175
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No