Information card for entry 7007593

Structure parameters

• Formula: C98 H88 Cl6 Hg3 N28 O24
• Calculated formula: C98 H88 Cl6 Hg3 N28 O24
• SMILES: [Hg]123[n]4c(cccc4)c4ccn([n]14)Cc1ccc(cc1)Cn1[n]4[Hg]5678[n]9c(c4cc1)cccc9c1[n]5n(cc1)Cc1ccc(cc1)Cn1[n]4[Hg]5([n]9c(c4cc1)cccc9)[n]1n(Cc4ccc(Cn9[n]8c(c8[n]7c(c7[n]6n(Cc6ccc(Cn%10[n]3c(c3[n]2cccc3)cc%10)cc6)cc7)ccc8)cc9)cc4)ccc1c1[n]5cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.N#CC.N#CC.N#CC.N#CC.N#CC
• 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: 18.2863 ± 0.0003 Å
• b: 25.3101 ± 0.0004 Å
• c: 22.8779 ± 0.0004 Å
• α: 90°
• β: 93.613 ± 0.001°
• γ: 90°
• Cell volume: 10567.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0425
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No