Information card for entry 7106490

Structure parameters

• Common name: bis(di((+/-)-2,7,12-trimethoxy-3,8,13-tris(3- pyridylmethyloxy)-10,15-dihydro-5H-tribenzo (a,d,g)cyclononane)trissilver(i) perchlorate dimethylsulfoxide clathrate
• Chemical name: bis[di{(+/-)-2,7,12-trimethoxy-3,8,13- tris(3-pyridylmethyloxy)-10,15-dihydro-5H-tribenzo [a,d,g]cyclononane}trissilver(I) perchlorate dimethylsulfoxide clathrate
• Formula: C177 H177 Ag6 Cl6 N15 O51
• Calculated formula: C177 H177 Ag6 Cl6 N15 O51.02
• Title of publication: M3L2 metallo-cryptophanes: [2]catenane and simple cages
• Authors of publication: James J. Henkelis; Tanya K. Ronson; Lindsay P. Harding; Michaele J. Hardie
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6560
• a: 33.352 ± 0.003 Å
• b: 19.288 ± 0.002 Å
• c: 40.328 ± 0.003 Å
• α: 90°
• β: 104.583 ± 0.004°
• γ: 90°
• Cell volume: 25107 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1459
• Residual factor for significantly intense reflections: 0.1037
• Weighted residual factors for significantly intense reflections: 0.2446
• Weighted residual factors for all reflections included in the refinement: 0.2617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.291
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No