Information card for entry 7212159

Structure parameters

• Formula: C23 H23 Ag Cl N O6 S2
• Calculated formula: C23 H23 Ag Cl N O6 S2
• SMILES: [Ag]123[S]4Cc5c([O]2Cc2[n]3c(COc3c(C[S]1CC4)cccc3)ccc2)cccc5.Cl(=O)(=O)(=O)[O-]
• Title of publication: Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion
• Authors of publication: Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1494
• a: 9.6205 ± 0.0006 Å
• b: 19.9138 ± 0.0012 Å
• c: 12.7424 ± 0.0008 Å
• α: 90°
• β: 105.035 ± 0.001°
• γ: 90°
• Cell volume: 2357.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No