Information card for entry 7217802

Structure parameters

• Formula: C42 H32 Cu2 N8 O8
• Calculated formula: C42 H32 Cu2 N8 O8
• SMILES: c12c(cccc1)C=[N]1c3ccccc3c3n(c4ccccc4[n]3[Cu]31([O]2[Cu]12([N](=Cc4c(cccc4)[O]32)c2ccccc2c2n(c3ccccc3[n]12)C)ON(=O)=O)ON(=O)=O)C
• Title of publication: Potential apoptosis inducing agents based on a new benzimidazole Schiff base ligand and its dicopper(II) complex
• Authors of publication: Paul, Anup; Gupta, Rakesh Kumar; Dubey, Mrigendra; Sharma, Gunjan; Koch, Biplob; Hundal, Geeta; Hundal, Maninder Singh; Pandey, Shankar
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 10.265 ± 0.002 Å
• b: 10.433 ± 0.002 Å
• c: 17.873 ± 0.004 Å
• α: 90°
• β: 94.202 ± 0.011°
• γ: 90°
• Cell volume: 1909 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No