Information card for entry 7007590

Structure parameters

• Formula: C30 H34 Cl2 Hg2 N8 O10
• Calculated formula: C30 H34 Cl2 Hg2 N8 O10
• SMILES: [Hg]12[Hg]3([n]4c(c5[n]3n(Cc3cccc(Cn6[n]2c(cc6)c2cccc[n]12)c3)cc5)cccc4)[O]=CN(C)C.O=CN(C)C.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: 19.319 ± 0.006 Å
• b: 11.656 ± 0.003 Å
• c: 15.942 ± 0.005 Å
• α: 90°
• β: 93.757 ± 0.005°
• γ: 90°
• Cell volume: 3582.1 ± 1.8 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: 0.0545
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No