Information card for entry 7022034

Structure parameters

• Common name: bisnicotinate tetraethyleneglycol
• Formula: C40 H48 Ag4 N8 O26
• Calculated formula: C40 H48 Ag4 N8 O26
• SMILES: [Ag]([n]1cc(ccc1)C(=O)OCCOC2)[n]1cccc(c1)C(=O)OCC[O]1[Ag](ON(=O)=O)(ON(=O)=O)[O](CC1)CCOCCOC(=O)c1c[n](ccc1)[Ag][n]1cccc(c1)C(=O)OCC[O]1[Ag]([O](C2)CC1)(ON(=O)=O)ON(=O)=O
• Title of publication: Rings, chains and helices: new antimicrobial silver coordination compounds with (iso-)nicotinic acid derivatives.
• Authors of publication: Chevrier, Inès; Sagué, Jorge L; Brunetto, Priscilla S.; Khanna, Nina; Rajacic, Zarko; Fromm, Katharina M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 217 - 231
• a: 9.9254 ± 0.0016 Å
• b: 7.9338 ± 0.001 Å
• c: 31.91 ± 0.005 Å
• α: 90°
• β: 91.243 ± 0.013°
• γ: 90°
• Cell volume: 2512.2 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1907
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No