Information card for entry 7009639

Structure parameters

• Formula: C51 H42 Ag3 F9 N14 O9 S3
• Calculated formula: C51 H42 Ag3 F9 N14 O9 S3
• SMILES: C1c2[nH]c3ccccc3[n]2[Ag][n]2c(CN3Cc4[nH]c5ccccc5[n]4[Ag][n]4c(CN1Cc1[nH]c5ccccc5[n]1[Ag][n]1c(C3)[nH]c3ccccc13)[nH]c1ccccc41)[nH]c1c2cccc1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: A novel (CF3SO3−)6 cluster with multiple F · · · F interactions: crystal structure of a self-assembled trinuclear Ag(I) complex with the tripodal ligand tris(2-benzimidazolylmethyl)amine
• Authors of publication: Su, Cheng-Yong; Kang, Bei-Sheng; Wang, Qi-Guang; Mak, Thomas C. W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 12
• Pages of publication: 1831
• a: 15.758 ± 0.001 Å
• b: 15.758 ± 0.001 Å
• c: 40.459 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8700.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0564
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No