Information card for entry 7244922

Structure parameters

• Formula: C29 H14 Hg N5 S15
• Calculated formula: C28.5 H14 Hg N4.5 S14.5
• Title of publication: Bilayer conducting salts with polymeric anions
• Authors of publication: Lopes, Gonçalo; Gama, Vasco Pires Silva da; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Brotas, Graça; Pereira, Laura C. J.; Cerdeira, Ana C.; Paixão, José António; Rabaça, Sandra; Almeida, Manuel
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 4.9082 ± 0.0005 Å
• b: 5.8283 ± 0.0004 Å
• c: 30.957 ± 0.002 Å
• α: 94.893 ± 0.004°
• β: 90.969 ± 0.005°
• γ: 94.432 ± 0.005°
• Cell volume: 879.46 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1335
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.2135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No