Information card for entry 7007583

Structure parameters

• Formula: C50 H44 Ag2 Cl2 N12 O8
• Calculated formula: C50 H44 Ag2 Cl2 N12 O8
• SMILES: [O-]Cl(=O)(=O)=O.[Ag]123[n]4c(cccc4)c4[n]1n(cc4)Cc1cc(cc(c1)C)Cn1ccc4c5cccc[n]5[Ag]5([n]6c(cccc6)c6ccn(Cc7cc(cc(c7)C)Cn7ccc(c8cccc[n]38)[n]27)[n]56)[n]14.[O-]Cl(=O)(=O)=O
• Title of publication: Complexes of Ag(I), Hg(I) and Hg(II) with multidentate pyrazolyl-pyridine ligands: From mononuclear complexes to coordination polymers via helicates, a mesocate, a cage and a catenate.
• Authors of publication: Argent, Stephen P.; Adams, Harry; Riis-Johannessen, Thomas; Jeffery, John C.; Harding, Lindsay P.; Clegg, William; Harrington, Ross W.; Ward, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 42
• Pages of publication: 4996 - 5013
• a: 12.3886 ± 0.0013 Å
• b: 14.0381 ± 0.0015 Å
• c: 14.2908 ± 0.0015 Å
• α: 90°
• β: 93.946 ± 0.002°
• γ: 90°
• Cell volume: 2479.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0683
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No