Information card for entry 2241229

Structure parameters

• Chemical name: {2-[({2-[(2-Aminoethyl)amino]ethyl}imino)methyl]-6-hydroxyphenolato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1^}(nitrato-κ<i>O</i>)]copper(II) ethanol 0.25-solvate
• Formula: C11.5 H17.5 Cu N4 O5.25
• Calculated formula: C11.5 H17.5 Cu N4 O5.25
• Title of publication: Crystal structure of {2-[({2-[(2-aminoethyl)amino]ethyl}imino)methyl]-6-hydroxyphenolato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1^}(nitrato-κ<i>O</i>)copper(II) ethanol 0.25-solvate
• 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: m205 - m206
• a: 11.952 ± 0.002 Å
• b: 12.129 ± 0.002 Å
• c: 19.59 ± 0.004 Å
• α: 90°
• β: 98.921 ± 0.003°
• γ: 90°
• Cell volume: 2805.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes