Information card for entry 7154722

Structure parameters

• Formula: C37 H30 Cl3 Fe N6 O6
• Calculated formula: C37 H30 Cl3 Fe N6 O6
• SMILES: [Fe]1234(Oc5c(cccc5)C=[N]1N(c1[n]3cccc1)c1ccccc1)Oc1c(cccc1)C=[N]2N(c1ccccc1)c1[n]4cccc1.Cl(=O)(=O)(=O)[O-].ClCCl
• 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: 9.942 ± 0.005 Å
• b: 16.486 ± 0.005 Å
• c: 22.002 ± 0.005 Å
• α: 90 ± 0.005°
• β: 102.222 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3524 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1034
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No