Information card for entry 7713535

Structure parameters

• Formula: C21 H20 N2 Ni O5
• Calculated formula: C21 H20 N2 Ni O5
• SMILES: [Ni]123OC(=C(C=[N]3c3c([N]2=Cc2c(O1)ccc(OC)c2)cccc3)C(=O)OCC)C
• Title of publication: Anticancer activity of Ni(II) and Zn(II) complexes based on new unsymmetrical salophen-type ligands: Synthesis, characterization and single-crystal X-ray diffraction
• Authors of publication: Villaman, David; Vega, Andres; Santa María de la Parra, Lucía; Leon, Ignacio; Levin, Pedro; Toro, Patricia M.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.142 ± 0.005 Å
• b: 10.284 ± 0.005 Å
• c: 11.733 ± 0.006 Å
• α: 90.098 ± 0.016°
• β: 93.951 ± 0.016°
• γ: 100.46 ± 0.012°
• Cell volume: 963.7 ± 0.9 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No