Information card for entry 7204141

Structure parameters

• Formula: C28 H16 Au2 N8 S8 Se8
• Calculated formula: C28 H16 Au2 N8 S8 Se8
• SMILES: [Au]12([Se]c3c([Se]2)nccn3)[Se]c2nccnc2[Se]1.[Au]12([Se]c3c([Se]1)nccn3)[Se]c1nccnc1[Se]2.S1C(SC=C1)=C1SC=CS1.S1C(SC=C1)=C1SC=CS1
• Title of publication: Preparation, structural, electrical and magnetic properties of tetrathiafulvalene-Au(pds)2 salts (pds = pyrazine-2,3-diselenolate)
• Authors of publication: Morgado, Jorge; Santos, Isabel C.; Veiros, Luís F.; Rodrigues, César; Henriques, Rui T.; Duarte, M. Teresa; Alcácer, Luís; Almeida, Manuel
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 2108
• a: 9.2248 ± 0.0015 Å
• b: 14.095 ± 0.002 Å
• c: 17.05 ± 0.002 Å
• α: 92.524 ± 0.01°
• β: 105.622 ± 0.009°
• γ: 101.51°
• Cell volume: 2080.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1838
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.2207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No