Information card for entry 4343514

Structure parameters

• Formula: C26 H14 I1.5 N2 S12
• Calculated formula: C26 H14 I1.5 N2 S12
• Title of publication: Bilayer Molecular Metals Based on Dissymmetrical Electron Donors.
• Authors of publication: Oliveira, Sandrina; Ministro, José; Santos, Isabel C.; Belo, Dulce; Lopes, Elsa B.; Rabaça, Sandra; Canadell, Enric; Almeida, Manuel
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 6677 - 6679
• a: 27.981 ± 0.003 Å
• b: 8.1197 ± 0.0008 Å
• c: 13.607 ± 0.0015 Å
• α: 90°
• β: 96.908 ± 0.005°
• γ: 90°
• Cell volume: 3069 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1493
• Residual factor for significantly intense reflections: 0.1329
• Weighted residual factors for significantly intense reflections: 0.319
• Weighted residual factors for all reflections included in the refinement: 0.3285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No