Information card for entry 1557325

Structure parameters

• Common name: N,N'-bis(2-hydroxybenzyl)piperazine copper(II) acetate
• Formula: C22 H26 Cu2 N2 O6
• Calculated formula: C22 Cu2 N2 O6
• SMILES: [Cu]123([O]=C(O1)C)[O](c1c(cccc1)C[N]12CC[N]2(CC1)[Cu]1([O]=C(O1)C)[O](c1c(C2)cccc1)[Cu]1[O]=C(O1)C)[Cu]12([O]3c3c(C[N]14CCN(CC4)Cc1c([O-])cccc1)cccc3)[O]=C(O2)C
• Title of publication: Syntheses and Crystal Structures of N,N'-Bis(2-hydroxybenzyl)piperazine, its Nitrate Salt and Copper(II) Acetate Complex.
• Authors of publication: Loukiala, Satumari; Ratilainen, Jari; Valkonen, Jussi; Rissanen, Kari
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 1162 - 1168
• a: 12.197 ± 0.004 Å
• b: 7.061 ± 0.003 Å
• c: 13.3 ± 0.004 Å
• α: 90°
• β: 98.83 ± 0.02°
• γ: 90°
• Cell volume: 1131.9 ± 0.7 ų
• Ambient diffraction temperature: 293 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: 0.0798
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No