Information card for entry 2241224

Structure parameters

• Chemical name: {6,6'-Dihydroxy-2,2'-[iminobis(propane-1,3-diylnitrilomethanylylidene)]diphenolato-κ^5^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1'^}copper(II)
• Formula: C20 H23 Cu N3 O4
• Calculated formula: C20 H23 Cu N3 O4
• SMILES: [Cu]1234[N](CCC[NH]1CCC[N]2=Cc1c(c(ccc1)O)O3)=Cc1cccc(c1O4)O
• Title of publication: Crystal structure of {6,6'-dihydroxy-2,2'-[iminobis(propane-1,3-diylnitrilomethanylylidene)]diphenolato-κ^5^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1'^}copper(II)
• Authors of publication: Noor, Shabana; Kumar, Sarvendra; Sabir, Suhail; Seidel, Rüdiger W.; Goddard, Richard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: m203 - m204
• a: 28.4747 ± 0.0008 Å
• b: 6.186 ± 0.005 Å
• c: 22.925 ± 0.012 Å
• α: 90°
• β: 114.792 ± 0.011°
• γ: 90°
• Cell volume: 3666 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes