Information card for entry 4505515

Structure parameters

• Formula: C57 H89 Ag4 Cl4 N7 O19 S8
• Calculated formula: C57 H89 Ag4 Cl4 N7 O19 S8
• SMILES: [Ag]12[S]3Cc4ccc(C[S]([Ag]5[S]6Cc7ccc(C[S]([Ag]8[S]9Cc%10ccc(C[S]([Ag]%11[S]%12Cc%13ccc(C[S]1CC[NH]%11CC%12)cc%13)CC[NH]8CC9)cc%10)CC[NH]5CC6)cc7)CC[NH]2CC3)cc4.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O=CN(C)C.O=CN(C)C.N(C)(C)C=O
• Title of publication: Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures
• Authors of publication: Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1320
• a: 20.8068 ± 0.001 Å
• b: 18.5339 ± 0.001 Å
• c: 21.7427 ± 0.0011 Å
• α: 90°
• β: 111.607 ± 0.003°
• γ: 90°
• Cell volume: 7795.5 ± 0.7 ų
• Cell temperature: 172 ± 2 K
• Ambient diffraction temperature: 172 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No