Information card for entry 4338188

Structure parameters

• Formula: C144 H204 B8 Cu4 F32 N32 O26
• Calculated formula: C144 H184 B8 Cu4 F32 N32 O26
• SMILES: c1cccc2C=[N]3N(c4cc5[n]6c(c7ccccc7)[n]4[Cu]473([n]12)[n]1ccccc1C=[N]4N(c1cc2[n](c(c3ccccc3)[n]71)[Cu]134([N](=Cc7cccc[n]17)N2CCC(OCC)OCC)[n]1ccccc1C=[N]3N(c1cc2[n](c(c3ccccc3)[n]41)[Cu]134([n]7c(cc8N(CCC(OCC)OCC)[N]9=Cc%10cccc[n]%10[Cu]%1069([N](=Cc6cccc[n]%106)N5CCC(OCC)OCC)[n]8c7c5ccccc5)N(CCC(OCC)OCC)[N]1=Cc1cccc[n]31)[N](=Cc1cccc[n]41)N2CCC(OCC)OCC)CCC(OCC)OCC)CCC(OCC)OCC)CCC(OCC)OCC.O.O.O.O.O.O.O.O.O.O.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Ferromagnetic Coupling in Copper(II) [2 ×2] Grid-like Complexes.
• Authors of publication: Madalan, Augustin M.; Cao, Xiao-Yu; Rogez, Guillaume; Lehn, Jean-Marie
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4275 - 4277
• a: 18.537 ± 0.003 Å
• b: 28.794 ± 0.004 Å
• c: 31.529 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16829 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1535
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No