Information card for entry 7218770

Structure parameters

• Formula: C28 H37 Cl2 N12 O6.5 Zn
• Calculated formula: C28 H28 Cl2 N12 O6.501 Zn
• Title of publication: DNA-binding, molecular docking and apoptotic inducing activity of nickel(II), copper(II) and zinc(II) complexes of pyridine-based tetrazolo[1,5-a]pyrimidine ligands
• Authors of publication: Rahiman, Kalilur; Arthi, P.; Reddy, Dastagiri; Sakthivel, Natarajan; arun, Y; Paramasivan Thirumalai, Perumal; haleel, azees; veena, V
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 10.46 ± 0.0004 Å
• b: 13.507 ± 0.0005 Å
• c: 26.652 ± 0.0009 Å
• α: 90°
• β: 93.851 ± 0.002°
• γ: 90°
• Cell volume: 3757 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1965
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No