Information card for entry 7013073

Structure parameters

• Chemical name: bis-(3-salicylidenamino-propyl)-amine Cu salt
• Formula: C27 H31 Cu N3 O2
• Calculated formula: C27 H31 Cu N3 O2
• SMILES: [Cu]1234Oc5c(C=[N]2CCC[NH]4CCC[N]3=Cc2c(O1)cccc2)cccc5.c1(ccccc1)C
• Title of publication: X-Ray crystal structures of copper(II) and cobalt(II) complexes with Schiff base ligands. Reactivity towards dioxygen
• Authors of publication: Francis Carré; Robert J. P. Corriu; Emmanuelle Lancelle-Beltran; Ahmad Mehdi; Catherine Reyé; Roger Guilard; Jan Sýkora; Arie van der Lee
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 16
• Pages of publication: 3211 - 3215
• a: 10.895 ± 0.002 Å
• b: 16.911 ± 0.002 Å
• c: 13.142 ± 0.004 Å
• α: 90°
• β: 90.94 ± 0.02°
• γ: 90°
• Cell volume: 2421 ± 0.9 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• 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: 0.2894
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No