Information card for entry 7154721

Structure parameters

• Formula: C22 H16 Cl2 Fe N3 O
• Calculated formula: C22 H16 Cl2 Fe N3 O
• SMILES: [Fe]12(Cl)(Cl)Oc3ccc4ccccc4c3C=[N]1N(c1cccc[n]21)c1ccccc1
• 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: 8.5037 ± 0.0011 Å
• b: 8.8542 ± 0.0013 Å
• c: 13.785 ± 0.002 Å
• α: 90.32 ± 0.007°
• β: 103.174 ± 0.006°
• γ: 101.734 ± 0.006°
• Cell volume: 988 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No