Information card for entry 2020779

Structure parameters

• Chemical name: <i>catena</i>-Poly[[silver(I)-(μ~2~-pyridine-2,3-dicarboxylato-κ^2^<i>N</i>:<i>O</i>^3^)-silver(I)-tris(μ~2~-5-methyl-1,3,4-thiodiazol-2-amine-κ^2^<i>N</i>:<i>N</i>')] monohydrate ethanol monosolvate]
• Formula: C18 H26 Ag2 N10 O6 S3
• Calculated formula: C16 H18 Ag2 N10 O4 S3
• SMILES: [Ag]12([n]3[n]([Ag]([n]4[n]1c(sc4C)N)([n]1[n]2c(sc1C)N)OC(=O)c1cccnc1C(=O)[O-])c(sc3C)N)[n]1cccc(C(=O)O[Ag]23[n]4[n]([Ag]([n]5[n]2c(sc5N)C)[n]2[n]3c(sc2N)C)c(sc4N)C)c1C(=O)[O-]
• Title of publication: A one-dimensional silver(I) coordination polymer based on 5-methyl-1,3,4-thiadiazol-2-amine and pyridine-2,3-dicarboxylate
• Authors of publication: Fu, Wei-Wei; Li, Juan; Liu, Shu-Ting; Zhao, Dan; Zhou, Xue; Tong, Yang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 498 - 502
• a: 8.3665 ± 0.0004 Å
• b: 23.1277 ± 0.0011 Å
• c: 13.5984 ± 0.0007 Å
• α: 90°
• β: 98.221 ± 0.001°
• γ: 90°
• Cell volume: 2604.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes