Information card for entry 2224580

Structure parameters

• Chemical name: catena-Poly[[(3-methylsulfanyl-1,2,4-thiadiazole-5-thiolato)sodium]di- μ-aqua-κ^4^O:O]
• Formula: C3 H7 N2 Na O2 S3
• Calculated formula: C3 H7 N2 Na O2 S3
• Title of publication: <i>catena</i>-Poly[[(3-methylsulfanyl-1,2,4-thiadiazole-5-thiolato)sodium]di-μ-aqua-κ^4^<i>O</i>:<i>O</i>]
• Authors of publication: Zhang, Jun-Hong; Ma, Chun-Lin; Zhang, Ru-Fen; Wang, Hai-Zeng; Fu, Guo-Jia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m15
• a: 7.5794 ± 0.0008 Å
• b: 6.9736 ± 0.0006 Å
• c: 8.6879 ± 0.0012 Å
• α: 90°
• β: 102.027 ± 0.001°
• γ: 90°
• Cell volume: 449.13 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes