Information card for entry 7212158

Structure parameters

• Formula: C24 H25 Ag Cl2 F6 N O2 P S2
• Calculated formula: C24 H25 Ag Cl2 F6 N O2 P S2
• SMILES: [Ag]12[S]3Cc4c(OCc5[n]2c(COc2c(C[S]1CC3)cccc2)ccc5)cccc4.[P](F)(F)(F)(F)(F)[F-].ClCCl
• 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: 16.974 ± 0.0018 Å
• b: 9.2667 ± 0.001 Å
• c: 22.0941 ± 0.0017 Å
• α: 90°
• β: 126.589 ± 0.005°
• γ: 90°
• Cell volume: 2790.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• 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: 0.118
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No