Information card for entry 4308245

Structure parameters

• Formula: C56 H36 Ag2 F6 N12 O6 S2
• Calculated formula: C56 H36 Ag2 F6 N12 O6 S2
• SMILES: FC(F)(F)S(=O)(=O)[O-].n1c2ccccc2[nH]c1c1cc2cc(c1)c1[n]([Ag][n]3c(c4cc(cc(c4)c4[n]([Ag][n]5c2[nH]c2ccccc52)c2ccccc2[nH]4)c2[nH]c4ccccc4n2)[nH]c2ccccc32)c2ccccc2[nH]1.FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Zero to Three Dimensional Increase of Silver(I) Coordination Assemblies Controlled by Deprotonation of 1,3,5-Tri(2-benzimidazolyl)benzene and Aggregation of Multinuclear Building Units
• Authors of publication: Xiang-Ping Li; Jian-Yong Zhang; Mei Pan; Sheng-Run Zheng; Yu Liu; Cheng-Yong Su
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4617 - 4625
• a: 9.446 ± 0.0019 Å
• b: 11.592 ± 0.002 Å
• c: 12.042 ± 0.002 Å
• α: 87.87 ± 0.03°
• β: 85.77 ± 0.03°
• γ: 83.79 ± 0.03°
• Cell volume: 1306.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0657
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No