Information card for entry 7218684

Structure parameters

• Formula: C18 H26 Br2 N2 Ni O6
• Calculated formula: C18 H26 Br2 N2 Ni O6
• SMILES: C1c2c(OCC[N]=1[Ni]([OH2])([OH2])([N]1=Cc3ccccc3OCC1)([OH2])[OH2])cccc2.[Br-].[Br-]
• Title of publication: Zinc, copper and nickel derivatives of 2-[2-bromoethyliminomethyl]phenol as topoisomerase inhibitors exhibiting anti-proliferative and anti-metastatic properties
• Authors of publication: Lee, Sze Koon; Tan, Kong Wai; Weng, Ng Seik
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 11.2099 ± 0.0002 Å
• b: 7.3582 ± 0.0002 Å
• c: 13.2536 ± 0.0003 Å
• α: 90°
• β: 93.857 ± 0.002°
• γ: 90°
• Cell volume: 1090.74 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0314
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No