Information card for entry 4329164

Structure parameters

• Formula: C44 H46 Cl2 N8 O22 Zn4
• Calculated formula: C44 H44 Cl2 N8 O22 Zn4
• SMILES: C1=[N]2OCCO[N]3=Cc4cc(cc5C=[N]6OCCO[N]7=Cc8cc(cc1c8[O]1[Zn]823[O](c45)[Zn]671O[Zn]123[N]4=Cc5cc(cc6c5[O]3[Zn]35([N](OCCO[N]3=C6)=Cc3cc(cc(c3[O]25)C=[N]1OCCO4)C)O8)C)C)C.[O-]Cl(=O)(=O)=O.Cl(=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: 18.6996 ± 0.0007 Å
• b: 24.5936 ± 0.0009 Å
• c: 16.0255 ± 0.0009 Å
• α: 90°
• β: 123.87 ± 0.002°
• γ: 90°
• Cell volume: 6119.3 ± 0.5 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: 0.098
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.2081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No