Information card for entry 7241463

Structure parameters

• Formula: C26 H14 Au0.5 I N2 S12
• Calculated formula: C26 H14 Au0.5 I N2 S12
• Title of publication: Structural diversity in conducting bilayer salts (CNB-EDT-TTF)4A
• Authors of publication: Santos, Isabel C.; Gama, Vasco; Rabaça, Sandra; Veiros, Luís F.; Nogueira, Fernando; Paixão, José A.; Almeida, Manuel
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 4.848 ± 0.0002 Å
• b: 5.7558 ± 0.0002 Å
• c: 27.297 ± 0.0012 Å
• α: 89.436 ± 0.003°
• β: 89.331 ± 0.002°
• γ: 84.313 ± 0.002°
• Cell volume: 757.87 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0648
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No