Information card for entry 2214426

Structure parameters

• Common name: [N,N'-Bis(6-methoxysalicylidene)-1,3-diaminopropane]copper(II)
• Chemical name: {2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}copper(II)
• Formula: C19 H20 Cu N2 O4
• Calculated formula: C19 H20 Cu N2 O4
• SMILES: [Cu]123[N](=Cc4c(OC)cccc4O2)CCC[N]1=Cc1c(OC)cccc1O3
• Title of publication: [<i>N</i>,<i>N</i>'-Bis(6-methoxysalicylidene)-1,3-diaminopropane]copper(II)
• Authors of publication: Habibi, Mohammad Hossein; Mokhtari, Reza; Harrington, Ross W.; Clegg, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1998 - m1998
• a: 13.7911 ± 0.0014 Å
• b: 12.7032 ± 0.0013 Å
• c: 9.9329 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1740.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes