Information card for entry 7154720

Structure parameters

• Formula: C18 H14 Cl2 Fe N3 O
• Calculated formula: C18 H14 Cl2 Fe N3 O
• SMILES: [Fe]12(Cl)(Cl)Oc3c(C=[N]1N(c1[n]2cccc1)c1ccccc1)cccc3
• Title of publication: Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.
• Authors of publication: Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 47
• Pages of publication: 11445 - 11458
• a: 8.7569 ± 0.0006 Å
• b: 17.2402 ± 0.0013 Å
• c: 12.0556 ± 0.0009 Å
• α: 90°
• β: 103.439 ± 0.004°
• γ: 90°
• Cell volume: 1770.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0647
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No