Information card for entry 7218683

Structure parameters

• Formula: C18 H18 Br2 Cu N2 O2
• Calculated formula: C18 H18 Br2 Cu N2 O2
• SMILES: c12O[Cu]3([N](=Cc2cccc1)CCBr)[N](=Cc1c(cccc1)O3)CCBr
• 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: 10.2397 ± 0.0008 Å
• b: 10.0932 ± 0.0006 Å
• c: 8.7855 ± 0.0006 Å
• α: 90°
• β: 102.225 ± 0.007°
• γ: 90°
• Cell volume: 887.4 ± 0.11 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: 0.0351
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No