Information card for entry 1100704

Structure parameters

• Formula: C20 H22 Ag2 Cl2 N4 O8 S2
• Calculated formula: C20 H22 Ag2 Cl2 N4 O8 S2
• SMILES: [Ag]12[S](Cc3[n]([Ag]4[S](Cc5[n]1c(ccc5)C)Cc1[n]4cc[n]4[Ag][S](Cc5nc(ccc5)C)Cc14)c(ccc3)C)Cc1[n]2cc[n]2[Ag][S](Cc3nc(ccc3)C)Cc12.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Formation of a Single-Stranded Silver(I) Helical Coordination Polymer Containing π-Stacked Planar Chiral N~4~S~2~ Ligands
• Authors of publication: Caradoc-Davies, Paula L.; Hanton, Lyall R.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2001
• Journal issue: 12
• Pages of publication: 1098 - 1099
• a: 9.182 ± 0.002 Å
• b: 9.182 ± 0.002 Å
• c: 52.48 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3831.7 ± 1.9 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 7
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No