Information card for entry 2224868

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aquasodium]-μ-[2,2'-(disulfanediyl)bis(pyridine <i>N</i>-oxide)]-μ-(pyridine-2-thiolato 1-oxide)]
• Formula: C15 H14 N3 Na O4 S3
• Calculated formula: C15 H14 N3 Na O4 S3
• SMILES: [Na+].n1(ccccc1[S-])=O.c1(n(cccc1)=O)SSc1n(cccc1)=O.O
• Title of publication: <i>catena</i>-Poly[[aquasodium(I)]-μ-[2,2'-(disulfanediyl)bis(pyridine <i>N</i>-oxide)]-μ-(pyridine-2-thiolato 1-oxide)]
• Authors of publication: Ravindran Durai Nayagam, B.; Jebas, Samuel Robinson; Devadasan, J. Jebaraj; Murugesan, R.; Schollmeyer, Dieter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m142 - m143
• a: 24.829 ± 0.002 Å
• b: 7.329 ± 0.0007 Å
• c: 19.1378 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3482.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes