Information card for entry 2235299

Structure parameters

• Chemical name: Bis(3,5-di-<i>tert</i>-butyl-4<i>H</i>-1,2,4-triazol-4-amine- κ<i>N</i>^1^)(nitrato-κ<i>O</i>)silver(I) ethanol monosolvate monohydrate
• Formula: C22 H48 Ag N9 O5
• Calculated formula: C22 H48 Ag N9 O5
• SMILES: [Ag](ON(=O)=O)([n]1nc(n(N)c1C(C)(C)C)C(C)(C)C)[n]1nc(n(N)c1C(C)(C)C)C(C)(C)C.OCC.O
• Title of publication: Bis(3,5-di-<i>tert</i>-butyl-4<i>H</i>-1,2,4-triazol-4-amine-κ<i>N</i>^1^)(nitrato-κ<i>O</i>)silver(I) ethanol monosolvate monohydrate
• Authors of publication: Liu, Ya-Mei; Chen, Jing-Huo; Yang, Guang; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m731
• a: 10.149 ± 0.002 Å
• b: 14.802 ± 0.003 Å
• c: 20.405 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3065.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes