Information card for entry 4324209

Structure parameters

• Common name: Cu acac complex
• Formula: C28 H21 Cu N5 O5
• Calculated formula: C28 H21 Cu N5 O5
• SMILES: [Cu]12([O]=C(C=C(O1)C)C)[n]1cccc3c4nc([nH]c4c4c([n]2ccc4)c13)c1cccc2ccccc12.N(=O)(=O)[O-]
• Title of publication: Synthesis, Electronic Structure, DNA and Protein Binding, DNA Cleavage, and Anticancer Activity of Fluorophore-Labeled Copper(II) Complexes
• Authors of publication: Satish S. Bhat; Anupa A. Kumbhar; Hussain Heptullah; Ayesha A. Khan; Vivekanand V. Gobre; Shridhar P. Gejji; Vedavati G. Puranik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 545 - 558
• a: 7.1127 ± 0.0005 Å
• b: 14.5569 ± 0.0011 Å
• c: 23.6079 ± 0.0018 Å
• α: 90°
• β: 90.302 ± 0.002°
• γ: 90°
• Cell volume: 2444.3 ± 0.3 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: 0.1125
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No