Information card for entry 7713537

Structure parameters

• Formula: C21 H22 N2 O5
• Calculated formula: C21 H22 N2 O5
• 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: 22.8904 ± 0.0011 Å
• b: 14.1561 ± 0.0006 Å
• c: 24.2635 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7862.3 ± 0.7 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No