Information card for entry 7051795

Structure parameters

• Formula: C44 H56 Ag4 Cl4 N4 O16 S6
• Calculated formula: C44 H56 Ag4 Cl4 N4 O16 S6
• SMILES: C1CCOc2c(C[S]3[Ag]45ON(=[O][Ag]6([CH]7=CC=C(C[S]8CC[S]4(CC3)[Ag]3(ON(=O)=[O][Ag]48[S]8Cc9c(cccc9)OCCCOC9=C[CH]3=CC=C9C[S]5CC[S]64CC8)ON(=O)=O)C(=C7)O1)ON(=O)=O)=O)cccc2.ClCCl.C(Cl)Cl
• Title of publication: Exo-coordinated discrete and continuous supramolecular silver(i) complexes with thiaoxa-macrocycles
• Authors of publication: Kim, Hyun Jee; Yoon, Il; Lee, So Young; Choi, Kyu Seong; Lee, Shim Sung
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 258
• a: 9.523 ± 0.0006 Å
• b: 12.0312 ± 0.0007 Å
• c: 14.1546 ± 0.0008 Å
• α: 73.512 ± 0.001°
• β: 86.303 ± 0.001°
• γ: 67.543 ± 0.001°
• Cell volume: 1435.36 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No