Information card for entry 7022033

Structure parameters

• Common name: bisnicotinate tetraethyleneglycol
• Formula: C42 H56 Ag2 N6 O22
• Calculated formula: C42 H56 Ag2 N6 O22
• SMILES: N(=O)(=O)[O-].[Ag]1[n]2cc(ccc2)C(=O)OCCOCCOCCOCCOC(=O)c2ccc[n]([Ag][n]3cc(ccc3)C(=O)OCCOCCOCCOCCOC(=O)c3ccc[n]1c3)c2.CO.N(=O)(=O)[O-].CO
• 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: 9.548 ± 0.0005 Å
• b: 8.1661 ± 0.0003 Å
• c: 31.3729 ± 0.0015 Å
• α: 90°
• β: 91.197 ± 0.004°
• γ: 90°
• Cell volume: 2445.6 ± 0.2 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: 0.0382
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No