Information card for entry 1563995

Structure parameters

• Formula: C46 H56 Cl4 Cu4 N4 O26
• Calculated formula: C46 H56 Cl4 Cu4 N4 O26
• SMILES: C1CC[N]2=Cc3ccccc3[O]3CC4[O]([Cu]23[OH]1)[Cu]1235[N](=Cc6c([O]1C4)cccc6)CCC[O]2[Cu]1245[N](=Cc5c([O]2CC2[O]1[Cu]16[N](CCC[OH]1)=Cc1ccccc1[O]6C2)cccc5)CCC[O]34.[O-]Cl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-].[O-]Cl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: Macrocyclic mononuclear Ni(II) and macroacyclic tetranuclear Cu(II) complexes: Dimerization of binuclear Cu(II) complexes with help of perchlorate anions
• Authors of publication: Golbedaghi, Reza; Fausto, Rui; Salehzadeh, Sadegh; Tofani, Manijeh; Safaraabadi, Soraya
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 480
• Pages of publication: 27 - 32
• a: 11.12 ± 0.002 Å
• b: 11.767 ± 0.002 Å
• c: 12.549 ± 0.003 Å
• α: 70.61 ± 0.03°
• β: 86.78 ± 0.03°
• γ: 62.19 ± 0.03°
• Cell volume: 1360.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2126
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No