Information card for entry 1560193

Structure parameters

• Formula: C44 H41 N3 O6 Zn
• Calculated formula: C44 H41 N3 O6 Zn
• SMILES: c1(ccc2ccc3ccc(C)[n]4c3c2[n]1[Zn]4(OC(=O)[C@H](c1ccc2cc(ccc2c1)OC)C)OC(=O)[C@H](c1ccc2cc(ccc2c1)OC)C)C.C(#N)C
• Title of publication: Synthesis, characterization and biological activity of new mixed ligand complexes of Zn(II) naproxen with nitrogen based ligands
• Authors of publication: Hijazi Abu Ali; Hadeel Fares; Mohanad Darawsheh; Emilia Rappocciolo; Mutaz Akkawi; Suhair Jaber
• Journal of publication: European Journal of Medicinal Chemistry
• Year of publication: 2015
• Journal volume: 89
• Pages of publication: 67 - 76
• a: 15.0063 ± 0.0009 Å
• b: 14.1711 ± 0.0008 Å
• c: 17.7959 ± 0.0011 Å
• α: 90°
• β: 91.705 ± 0.001°
• γ: 90°
• Cell volume: 3782.7 ± 0.4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No