Information card for entry 7221728

Structure parameters

• Formula: C26 H23 N5 Ni O7
• Calculated formula: C26 H23 N5 Ni O7
• SMILES: [Ni]12([n]3ccccc3N(c3[n]1cccc3)Cc1c3ccccc3cc3ccccc13)([OH]C)(ON(=[O]2)=O)ON(=O)=O
• Title of publication: Synthesis, DNA binding profile and DNA cleavage pathway of divalent metal complexes
• Authors of publication: Kim, Cheal; Nataraj, Chitrapriya; Kim, Seog K.; Shin, Jong; Hwang, In Hong; Kim, Youngmee
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 15.186 ± 0.003 Å
• b: 10.313 ± 0.002 Å
• c: 16.548 ± 0.003 Å
• α: 90°
• β: 109.05 ± 0.03°
• γ: 90°
• Cell volume: 2449.7 ± 0.9 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No