Information card for entry 2206501

Structure parameters

• Chemical name: [N,N'-Bis(3-methylsalicylidene)propane-1,3-diaminato]copper(II)
• Formula: C19 H20 Cu N2 O2
• Calculated formula: C19 H20 Cu N2 O2
• SMILES: [Cu]123Oc4c(cccc4C)C=[N]2CCC[N]3=Cc2c(O1)c(ccc2)C
• Title of publication: [<i>N</i>,<i>N</i>'-Bis(3-methylsalicylidene)propane-1,3-diaminato]copper(II)
• Authors of publication: You, Zhong-Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1559 - m1560
• a: 10.328 ± 0.001 Å
• b: 7.732 ± 0.001 Å
• c: 23.656 ± 0.002 Å
• α: 90°
• β: 114.38 ± 0.01°
• γ: 90°
• Cell volume: 1720.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1257
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes