Information card for entry 2311589

Structure parameters

• Chemical name: <i>trans</i>-Bis[2-(1<i>H</i>-benzotriazol-1-yl)acetato-κ<i>O</i>]bis(ethanolamine-κ^2^<i>N</i>,<i>O</i>)copper(II)
• Formula: C20 H26 Cu N8 O6
• Calculated formula: C20 H26 Cu N8 O6
• SMILES: c1c2c(ccc1)nnn2CC(=O)O[Cu](OC(=O)Cn1nnc2c1cccc2)([NH2]CCO)[NH2]CCO
• Title of publication: Crystal structure of <i>trans</i>-bis-[2-(1<i>H</i>-benzotriazol-1-yl)acetato-κ<i>O</i>]bis-(ethano-lamine-κ²<i>N</i>,<i>O</i>)copper(II).
• Authors of publication: Alieva, Guloy K.; Ashurov, Jamshid M.; Kadirova, Shahnoza A.; Ibragimov, Bakhtiyar T.; Zakhidov, Kasim A.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2019
• Journal volume: 75
• Journal issue: Pt 2
• Pages of publication: 233 - 236
• a: 12.4283 ± 0.0004 Å
• b: 4.84866 ± 0.00009 Å
• c: 20.6944 ± 0.0005 Å
• α: 90°
• β: 105.823 ± 0.003°
• γ: 90°
• Cell volume: 1199.8 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No