Information card for entry 7210210

Structure parameters

• Formula: C39 H28 Ag2 Cl2 F12 N10 O8 S4
• Calculated formula: C39 H28 Ag2 Cl2 F12 N10 O8 S4
• SMILES: [Ag]12([n]3cccc[n]3[Ag]34[n]5ccccc5c5cccc(c6cccc[n]36)[n]45)[n]3ccccc3c3cccc(c4cccc[n]24)[n]13.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F.C(Cl)Cl
• Title of publication: Stacks and clips: Uncanny similarities in the modes of self-assembly in tenary Ag(I) complexes with 1,2-diazines and chelating heteroarenes.
• Authors of publication: Türkmen, Yunus E.; Sen, Saikat; Rawal, Viresh H.
• Journal of publication: CrystEngComm / RSC
• Year of publication: 2013
• Journal volume: 2013
• Journal issue: 21
• Pages of publication: 4221 - 4224
• a: 13.259 ± 0.002 Å
• b: 23.277 ± 0.004 Å
• c: 16.617 ± 0.003 Å
• α: 90°
• β: 110.187 ± 0.003°
• γ: 90°
• Cell volume: 4813.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0747
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No