Information card for entry 7022028

Structure parameters

• Common name: bisisonicotinate triethyleneglycol
• Formula: C36 H40 Ag2 F12 N4 O12 P2
• Calculated formula: C36 H40 Ag2 F12 N4 O12 P2
• SMILES: c1cc2cc[n]1[Ag][n]1ccc(C(=O)OCCOCCOCCOC(=O)c3cc[n](cc3)[Ag][n]3ccc(C(=O)OCCOCCOCCOC2=O)cc3)cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 8.7123 ± 0.0017 Å
• b: 9.806 ± 0.002 Å
• c: 14.257 ± 0.003 Å
• α: 75.58 ± 0.03°
• β: 79.75 ± 0.03°
• γ: 72.74 ± 0.03°
• Cell volume: 1119.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2747
• Residual factor for significantly intense reflections: 0.1096
• Weighted residual factors for significantly intense reflections: 0.236
• Weighted residual factors for all reflections included in the refinement: 0.3211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No