Information card for entry 4348750

Structure parameters

• Formula: C26 H14 I1.5 N2 S12
• Calculated formula: C26 H14 I1.525 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: 4.8597 ± 0.0009 Å
• b: 5.7697 ± 0.0011 Å
• c: 27.733 ± 0.005 Å
• α: 89.033 ± 0.006°
• β: 87.007 ± 0.006°
• γ: 84.443 ± 0.007°
• Cell volume: 772.8 ± 0.2 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: 0.1075
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No