Information card for entry 7053913

Structure parameters

• Formula: C20 H24 Cu N6 O7
• Calculated formula: C20 H24 Cu N6 O7
• SMILES: C=CC(=O)O[Cu]12([NH](Cc3[n]1c1c([nH]3)cccc1)Cc1[n]2c2c([nH]1)cccc2)[OH]C.O=N(=O)[O-].O
• Title of publication: V-shaped ligand bis(2-benzimidazolylmethyl)amine containing three copper(ii) ternary complexes: synthesis, structure, DNA-binding properties and antioxidant activity
• Authors of publication: Wu, Huilu; Wang, Hua; Wang, Xiaoli; Pan, Guolong; Shi, Furong; Zhang, Yanhui; Bai, Yuchen; Kong, Jin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 3
• Pages of publication: 1052
• a: 17.298 ± 0.002 Å
• b: 8.5102 ± 0.001 Å
• c: 15.4923 ± 0.0018 Å
• α: 90°
• β: 97.711 ± 0.002°
• γ: 90°
• Cell volume: 2260 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0633
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No