Information card for entry 2019497

Structure parameters

• Chemical name: <i>catena</i>-Poly[(μ~3~-4-{[(1-phenyl-1<i>H</i>-tetrazol-5- yl)sulfanyl]methyl}benzoato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>^4^)silver(I)]
• Formula: C15 H11 Ag N4 O2 S
• Calculated formula: C15 H11 Ag N4 O2 S
• SMILES: [Ag]1[O]=C(c2ccc(cc2)CSc2n(nnn2)c2ccccc2)O[Ag]2[O]=C(O1)c1ccc(cc1)CSc1n(c3ccccc3)nn[n]1[Ag]1[O]=C(c3ccc(cc3)CSc3n(nn[n]23)c2ccccc2)O[Ag][O]=C(O1)c1ccc(cc1)CSc1n(nnn1)c1ccccc1
• Title of publication: A one-dimensional silver(I) coordination polymer based on an asymmetric flexible <i>N</i>-donor carboxylate ligand: <i>catena</i>-poly[(μ~3~-4-{[(1-phenyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]methyl}benzoato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>^4^)silver(I)]
• Authors of publication: Zhang, Hai-Na; Zhang, Qing-Fu; Wang, Jia-Jia; Geng, Ai-Jing; Zhang, Chong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: 292 - 296
• a: 15.1501 ± 0.0013 Å
• b: 8.29 ± 0.0007 Å
• c: 12.3879 ± 0.0011 Å
• α: 90°
• β: 96.936 ± 0.002°
• γ: 90°
• Cell volume: 1544.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes