Information card for entry 4335526

Structure parameters

• Formula: C50 H56 Ag2 N6 O10 S4
• Calculated formula: C50 H56 Ag2 N6 O10 S4
• SMILES: [NH]12[Ag]34[S](CC1)Cc1ccccc1OCc1cccc5[n]1[Ag]16[NH](CC[S]1Cc1c(OC5)cccc1)CC[S]6Cc1ccccc1OCc1cccc([n]31)COc1ccccc1C[S]4CC2.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Endo- and Exocyclic Supramolecular Complexes of Mixed-Donor Macrocycles via [1:1] and [2:2] Cyclizations
• Authors of publication: Seul-Gi Lee; Ki-Min Park; Yoichi Habata; Shim Sung Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8416 - 8426
• a: 8.4912 ± 0.0003 Å
• b: 14.4837 ± 0.0005 Å
• c: 20.2029 ± 0.0006 Å
• α: 90°
• β: 93.951 ± 0.002°
• γ: 90°
• Cell volume: 2478.73 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No