Information card for entry 7210289

Structure parameters

• Formula: C24 H44 Ag4 Cl4 N12 O20 S6
• Calculated formula: C24 H44 Ag4 Cl4 N12 O20 S6
• SMILES: c1(C)[n]2[Ag]3[n]4c(C)sc(C)[n]4[Ag]([n]4c(C)sc(C)[n]4[Ag]4[n]5c(C)sc(C)[n]5[Ag]([n]2c(C)s1)([n]1c(sc([n]41)C)C)[OH2])([n]1c(sc([n]31)C)C)[OH2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O
• Title of publication: Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole
• Authors of publication: Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 32
• Pages of publication: 6413
• a: 13.2108 ± 0.001 Å
• b: 14.2447 ± 0.001 Å
• c: 14.5976 ± 0.0011 Å
• α: 90°
• β: 113.318 ± 0.001°
• γ: 90°
• Cell volume: 2522.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0288
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No