Information card for entry 4329165

Structure parameters

• Formula: C23 H24 Cl2 N4 O17 Zn2
• Calculated formula: C23 H24 Cl2 N4 O17 Zn2
• SMILES: [Zn]123([O]4[Zn]56([O]1c1c7C=[N]3OCCO[N]2=Cc2c4c(C=[N]6CCC[N]5=Cc1cc(c7)C)cc(c2)C)[OH2])[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O
• Title of publication: A Series of Oxyimine-Based Macrocyclic Dinuclear Zinc(II) Complexes Enhances Phosphate Ester Hydrolysis, DNA Binding, DNA Hydrolysis, and Lactate Dehydrogenase Inhibition and Induces Apoptosis
• Authors of publication: Sellamuthu Anbu; Subban Kamalraj; Babu Varghese; Johnpaul Muthumary; Muthusamy Kandaswamy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5580 - 5592
• a: 26.1009 ± 0.0014 Å
• b: 8.0055 ± 0.0004 Å
• c: 16.6468 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3478.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No