Information card for entry 7028601

Structure parameters

• Formula: C27 H25 Cu N5 O6
• Calculated formula: C27 H25 Cu N5 O6
• SMILES: [Cu]12([N](NC(=[O]2)N(Cc2ccccc2)Cc2ccccc2)=Cc2c(O1)cc(O)cc2)[n]1ccccc1.O=N(=O)[O-]
• Title of publication: Copper(II) complexes of substituted salicylaldehyde dibenzyl semicarbazones: synthesis, cytotoxicity and interaction with quadruplex DNA.
• Authors of publication: Munira Haidad Ali, Siti; Yan, Yaw-Kai; Lee, Peter P. F.; Khong, Kenny Zhi Xiang; Alam Sk, Mahasin; Lim, Kok Hwa; Klejevskaja, Beata; Vilar, Ramon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1449 - 1459
• a: 9.587 ± 0.001 Å
• b: 16.27 ± 0.002 Å
• c: 17.13 ± 0.003 Å
• α: 90°
• β: 101.44 ± 0.01°
• γ: 90°
• Cell volume: 2618.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0635
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No