Information card for entry 7713536

Structure parameters

• Formula: C20 H18 N2 Ni O4
• Calculated formula: C20 H18 N2 Ni O4
• SMILES: [Ni]123OC(=C(C=[N]3c3c([N]2=Cc2c(O1)cccc2)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: 11.2066 ± 0.0007 Å
• b: 11.7649 ± 0.0009 Å
• c: 13.5458 ± 0.001 Å
• α: 90°
• β: 102.15 ± 0.003°
• γ: 90°
• Cell volume: 1745.9 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.0727
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No