Information card for entry 2228362

Structure parameters

• Chemical name: Poly[[aquatris(μ~3~-hexamethylenetetramine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')tris(<i>p</i>-toluenesulfonato- κ<i>O</i>)trisilver(I)] trihydrate]
• Formula: C39 H65 Ag3 N12 O13 S3
• Calculated formula: C39 H65 Ag3 N12 O13 S3
• Title of publication: Poly[[aquatris(μ~3~-hexamethylenetetramine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')tris(<i>p</i>-toluenesulfonato-κ<i>O</i>)trisilver(I)] trihydrate]
• Authors of publication: Wu, Hua; Shang, Meng-Xiang; ShangGuan, Shao-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1665 - m1666
• a: 17.3181 ± 0.0005 Å
• b: 10.7028 ± 0.0003 Å
• c: 26.911 ± 0.0011 Å
• α: 90°
• β: 95.657 ± 0.003°
• γ: 90°
• Cell volume: 4963.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes