Information card for entry 2241890

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-diethyl-3-mesitylsulfonyl-1<i>H</i>-1,2,4-triazole-1-carboxamide-κ<i>N</i>^1^)silver(I)]-μ-nitrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>]
• Formula: C16 H22 Ag N5 O6 S
• Calculated formula: C16 H22 Ag N5 O6 S
• SMILES: [Ag](ON(=O)=O)([n]1c(S(=O)(=O)c2c(cc(cc2C)C)C)nn(c1)C(=O)N(CC)CC)[O]([Ag][n]1c(S(=O)(=O)c2c(cc(cc2C)C)C)nn(c1)C(=O)N(CC)CC)N(=O)=O
• Title of publication: Crystal structure of <i>catena</i>-poly[[(<i>N</i>,<i>N</i>-diethyl-3-mesitylsulfonyl-1<i>H</i>-1,2,4-triazole-1-carboxamide-κ<i>N</i>^1^)silver(I)]-μ-nitrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>]
• Authors of publication: Park, Hyunjin; Kwon, Eunjin; Yoon, Il; Kim, Jineun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 1610 - 1613
• a: 9.0947 ± 0.0002 Å
• b: 31.0133 ± 0.0006 Å
• c: 7.1934 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2028.95 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes