Information card for entry 7053896

Structure parameters

• Formula: C18 H32 Ag N5 O13
• Calculated formula: C18 H32 Ag N5 O13
• SMILES: C(CO)[N](CCO)(CCO)[Ag]123[N](CC[OH]1)(CC[OH]2)CC[OH]3.c1([O-])c(cc(cc1N(=O)=O)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: 9.194 ± 0.005 Å
• b: 20.952 ± 0.005 Å
• c: 13.625 ± 0.005 Å
• α: 90°
• β: 108.315 ± 0.005°
• γ: 90°
• Cell volume: 2491.7 ± 1.7 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: 0.0671
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No