Information card for entry 7007588

Structure parameters

• Formula: C24 H20 Cl2 Hg N6 O8
• Calculated formula: C24 H20 Cl2 Hg N6 O8
• SMILES: [Hg]123[n]4c(cccc4)c4[n]1n(cc4)Cc1ccccc1Cn1[n]2c(cc1)c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=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: 34.528 ± 0.0017 Å
• b: 14.1848 ± 0.0006 Å
• c: 16.418 ± 0.0008 Å
• α: 90°
• β: 116.732 ± 0.001°
• γ: 90°
• Cell volume: 7181.7 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No