Information card for entry 1512755

Structure parameters

• Formula: C20 H22 Cl2 N2 Ni O8
• Calculated formula: C20 H22 Cl2 N2 Ni O8
• SMILES: [Ni]1234(Cl)[O]5CC([OH]2)C[O]1c1c(C=[N]4CC(O)C[N]3=Cc2c5cccc2)cccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Nickel(II) complexes with the macrocyclic schiff base ligand: Synthesis, spectroscopic studies, electrochemical behaviours and 1D supramolecular structure
• Authors of publication: Seyed Amir Zarei; AliAkbar Khandar; Masomeh Khatamian; Seyed Abolfazl Hosseini-Yazdi; Isabelle Dechamps; Emmanuel Guillon; Mohammad Piltan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 348 - 352
• a: 10.4237 ± 0.0013 Å
• b: 31.98 ± 0.006 Å
• c: 6.6452 ± 0.001 Å
• α: 90°
• β: 97.858 ± 0.011°
• γ: 90°
• Cell volume: 2194.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No