Information card for entry 7060501

Structure parameters

• Formula: C29 H26 N4 Ni O4
• Calculated formula: C29 H26 N4 Ni O4
• SMILES: [Ni]123(Oc4c5[n]1cccc5ccc4)(Oc1c4[n]2cccc4ccc1)[n]1c(c2[n]3cccc2)cccc1.O.CO
• Title of publication: Exploring the binding and cleavage activities of nickelII complexes towards DNA and proteins
• Authors of publication: Kumar, Manish; Lal, Neetika; Luthra, Pratibha Mehta; Masram, Dhanraj T.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6693 - 6708
• a: 8.097 ± 0.0015 Å
• b: 9.837 ± 0.0014 Å
• c: 15.489 ± 0.002 Å
• α: 98.035 ± 0.011°
• β: 95.492 ± 0.014°
• γ: 93.658 ± 0.014°
• Cell volume: 1212.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1384
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.2327
• Weighted residual factors for all reflections included in the refinement: 0.2876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No