Information card for entry 7007584

Structure parameters

• Formula: C48 H40 Ag2 B2 F8 N12
• Calculated formula: C48 H40 Ag2 B2 F8 N12
• SMILES: [Ag]123[n]4c(cccc4)c4[n]1n(cc4)Cc1ccc(cc1)Cn1[n]4[Ag]5([n]6c(c4cc1)cccc6)[n]1c(ccn1Cc1ccc(Cn4[n]3c(c3[n]2cccc3)cc4)cc1)c1[n]5cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 11.5905 ± 0.0002 Å
• b: 21.456 ± 0.0004 Å
• c: 18.4922 ± 0.0005 Å
• α: 90°
• β: 95.651 ± 0.001°
• γ: 90°
• Cell volume: 4576.4 ± 0.17 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No