Information card for entry 4333291

Structure parameters

• Formula: C56 H72 Ag3 F9 N10 O15 S12
• Calculated formula: C56 H66 Ag3 F9 N10 O15 S12
• SMILES: C1C[S]2CCS34CC[S]5CC[N]1([Ag]235S12CC[S]3CC[N]5(CC[S](CC1)[Ag]235S12CC[S]3CC[N]5(CC[S](CC1)[Ag]4235)Cc1ccc(N(=O)=O)cc1)Cc1ccc(N(=O)=O)cc1)Cc1ccc(N(=O)=O)cc1.FC(F)(F)S(=O)(=O)[O-].N#CC.N#CC.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].N#CC.N#CC
• Title of publication: Substituent Effects on the Structures of Silver Complexes with Monoazatrithia-12-Crown-4 Ethers Bearing Substituted Aromatic Rings
• Authors of publication: Habata, Yoichi; Noto, Kanae; Osaka, Futoshi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6529 - 6534
• a: 20.7184 ± 0.0007 Å
• b: 20.7184 ± 0.0007 Å
• c: 32.921 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12238.2 ± 0.9 ų
• Cell temperature: 298 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2228
• Weighted residual factors for all reflections included in the refinement: 0.2461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No