Information card for entry 7053602

Structure parameters

• Formula: C34 H40 Ag2 Cl6 N16 O10
• Calculated formula: C34 H40 Ag2 Cl6 N16 O10
• SMILES: c1ccc2c[n]1[Ag]([N]#CC)[n]1cccc(NC(=O)NCCNC(=O)Nc3ccc[n](c3)[Ag]([n]3cc(NC(=O)NCCNC(=O)N2)ccc3)[N]#CC)c1.N(=O)(=O)[O-].C(Cl)(Cl)Cl.N(=O)(=O)[O-].C(Cl)(Cl)Cl
• Title of publication: Metal-induced gelation in dipyridyl ureas
• Authors of publication: Byrne, Peter; Lloyd, Gareth O.; Applegarth, Lucas; Anderson, Kirsty M.; Clarke, Nigel; Steed, Jonathan W.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 2261
• a: 5.5449 ± 0.0016 Å
• b: 13.819 ± 0.004 Å
• c: 15.927 ± 0.005 Å
• α: 85.794 ± 0.008°
• β: 84.557 ± 0.008°
• γ: 87.26 ± 0.007°
• Cell volume: 1210.6 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No