Information card for entry 7212161

Structure parameters

• Formula: C23 H23 Cl2 Hg N O10 S2
• Calculated formula: C23 H23 Cl2 Hg N O10 S2
• SMILES: [n]12[Hg]345[O]6Cc1cccc2C[O]4c1ccccc1C[S]5CC[S]3Cc1c6cccc1.Cl(=O)(=O)(=O)[O-].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: 30.1951 ± 0.0015 Å
• b: 12.3606 ± 0.0006 Å
• c: 13.921 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5195.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No