Information card for entry 7106899

Structure parameters

• Formula: C26 H26 Cu2 F12 N10 O13 S4
• Calculated formula: C26 H26 Cu2 F12 N10 O13 S4
• SMILES: c1[n]2c(cc3[n]1[Cu]1([N](=Cc4cccc[n]14)N3C)[N]#CC)N(C)[N]1=Cc3cccc[n]3[Cu]21([N]#CC)[OH2].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Modulation of self-assembly and magnetism of Cu(II) grids in solution
• Authors of publication: Nathalie Parizel; Juan Ramirez; Christophe Burg; Sylvie Choua; Maxime Bernard; Serge Gambarelli; Vincent Maurel; Lydia Brelot; Jean-Marie Lehn; Philippe Turek; Adrian-Mihail Stadler
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10951
• a: 10.3216 ± 0.0003 Å
• b: 11.1123 ± 0.0003 Å
• c: 19.8965 ± 0.0005 Å
• α: 87.112 ± 0.002°
• β: 82.405 ± 0.002°
• γ: 69.908 ± 0.001°
• Cell volume: 2124.35 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No