Information card for entry 4343515

Structure parameters

• Formula: C13 H7 Cl0.25 N O S6
• Calculated formula: C13 H7 Cl0.25 N O S6
• 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: 4.8667 ± 0.0011 Å
• b: 5.7923 ± 0.0012 Å
• c: 27.507 ± 0.006 Å
• α: 90.263 ± 0.008°
• β: 91.578 ± 0.008°
• γ: 95.453 ± 0.007°
• Cell volume: 771.6 ± 0.3 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: 0.1073
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No