Information card for entry 4335521

Structure parameters

• Formula: C25 H28 Ag N3 O5 S2
• Calculated formula: C25 H28 Ag N3 O5 S2
• SMILES: [Ag]12345[S]6CC[NH]5CC[S]1Cc1c([O]2Cc2[n]4c(C[O]3c3c(C6)cccc3)ccc2)cccc1.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: 7.7858 ± 0.0002 Å
• b: 11.9975 ± 0.0003 Å
• c: 13.7046 ± 0.0003 Å
• α: 99.845 ± 0.001°
• β: 91.251 ± 0.001°
• γ: 99.378 ± 0.001°
• Cell volume: 1242.81 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No