Information card for entry 4325716

Structure parameters

• Formula: C54 H60 Cu3 F18 N12 Sb3
• Calculated formula: C54 H60 Cu3 F18 N12 Sb3
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[N]12[Cu]34[N](CC2)(Cc2[n]3cccc2)CC[N]4=Cc2cc(ccc2)C=[N]2[Cu]34[N](CC2)(Cc2[n]4cccc2)CC[N]3=Cc2cc(ccc2)C=[N]2[Cu]34[n]5c(C[N]3(CC2)CC[N]4=Cc2cc(C=1)ccc2)cccc5.[Sb](F)(F)(F)([F-])(F)F.[Sb](F)(F)(F)([F-])(F)F
• Title of publication: Ligand Influence over the Formation of Dinuclear [2+2] versus Trinuclear [3+3] CuI Schiff Base Macrocyclic Complexes
• Authors of publication: Arnau Arbuse; Sukanta Mandal; Somnath Maji; Ma Angeles Martínez; Xavier Fontrodona; Diana Utz; Frank W. Heinemann; Sandra Kisslinger; Siegfried Schindler; Xavier Sala; Antoni Llobet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6878 - 6889
• a: 12.008 ± 0.018 Å
• b: 15.72 ± 0.02 Å
• c: 20.01 ± 0.03 Å
• α: 109.82 ± 0.03°
• β: 104.97 ± 0.03°
• γ: 97.76 ± 0.03°
• Cell volume: 3328 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2401
• Residual factor for significantly intense reflections: 0.1076
• Weighted residual factors for significantly intense reflections: 0.2784
• Weighted residual factors for all reflections included in the refinement: 0.3216
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No