Information card for entry 4348751

Structure parameters

• Formula: C26 H14 I1.5 N2 S12
• Calculated formula: C26 H14 I1.5 N2 S12
• Title of publication: Polymorphism and Superconductivity in Bilayer Molecular Metals (CNB-EDT-TTF)₄I₃.
• Authors of publication: Rabaça, Sandra; Oliveira, Sandrina; Santos, Isabel C.; Gama, Vasco; Belo, Dulce; Lopes, Elsa B.; Canadell, Enric; Almeida, Manuel
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10343 - 10350
• a: 5.7669 ± 0.0002 Å
• b: 9.7113 ± 0.0003 Å
• c: 27.7724 ± 0.0007 Å
• α: 86.793 ± 0.002°
• β: 89.079 ± 0.001°
• γ: 84.558 ± 0.002°
• Cell volume: 1545.84 ± 0.08 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: 0.1265
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.2293
• Weighted residual factors for all reflections included in the refinement: 0.2457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No