Information card for entry 7053894

Structure parameters

• Formula: C32 H52 Ag2 N10 O22
• Calculated formula: C32 H52 Ag2 N10 O22
• SMILES: C1C[N]2(CC[N]3(CCO)[Ag]2([OH]1)[OH]CC[N]1(CC[N]2(CC[OH][Ag]12[OH]CC3)CCO)CCO)CCO.N(=O)(=O)c1cc(cc(c1[O-])N(=O)=O)N(=O)=O.N(=O)(=O)c1c([O-])c(cc(c1)N(=O)=O)N(=O)=O
• Title of publication: Synthesis, crystal structure investigation, DFT analyses and antimicrobial studies of silver(i) complexes with N,N,N′,N′′-tetrakis(2-hydroxyethyl/propyl) ethylenediamine and tris(2-hydroxyethyl)amine
• Authors of publication: Kumar, Rakesh; Obrai, Sangeeta; Kaur, Amanpreet; Hundal, Maninder Singh; Meehnian, Harmanpreet; Jana, Asim Kumar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 3
• Pages of publication: 1186
• a: 8.886 ± 0.0014 Å
• b: 19.167 ± 0.003 Å
• c: 13.127 ± 0.002 Å
• α: 90°
• β: 91.746 ± 0.005°
• γ: 90°
• Cell volume: 2234.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1245
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No