Information card for entry 7059627

Structure parameters

• Formula: C43 H31 N5 O2 Zn
• Calculated formula: C43 H31 N5 O2 Zn
• SMILES: [Zn]123(Oc4c(C=[N]2c2c([N]3=Cc3c(O1)cccc3)ccc(c2)c1c2c(nc3c1cccc3)cccc2)cccc4)[n]1ccccc1.c1ncccc1
• Title of publication: The metal centre in salen-acridine dyad N2O2 ligand–metal complexes modulates DNA binding and photocleavage efficiency
• Authors of publication: Prasanth, Panneerselvam Arun; Nantheeswaran, Periyappan; Anbazhagan, Veerappan; Senthilnathan, Rajendran; Jothi, Arunachalam; Bhuvanesh, Nattamai S. P.; Sannegowda, Lokesh Koodlur; Mariappan, Mariappan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 23
• Pages of publication: 9888 - 9895
• a: 10.6126 ± 0.0003 Å
• b: 30.5317 ± 0.001 Å
• c: 11.0273 ± 0.0003 Å
• α: 90°
• β: 111.038 ± 0.001°
• γ: 90°
• Cell volume: 3334.9 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No