Information card for entry 7154723

Structure parameters

• Formula: C38 H34 Fe N7 O6
• Calculated formula: C38 H34 Fe N7 O6
• SMILES: [Fe]1234(Oc5c(C(=[N]2N(c2[n]1cccc2)c1ccccc1)C)cccc5)Oc1c(cccc1)C(=[N]3N(c1[n]4cccc1)c1ccccc1)C.O=N(=O)[O-].O
• 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: 28.134 ± 0.008 Å
• b: 12.016 ± 0.004 Å
• c: 20.69 ± 0.007 Å
• α: 90°
• β: 97.965 ± 0.011°
• γ: 90°
• Cell volume: 6927 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.2055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No