Information card for entry 4316343

Structure parameters

• Formula: C37 H30 Cl4 N6 O2 Zn2
• Calculated formula: C37 H30 Cl4 N6 O2 Zn2
• SMILES: [Zn]123(Cl)[O]([Zn]45(Cl)[O]1c1ccccc1C=[N]4N(c1[n]5cccc1)c1ccccc1)c1ccccc1C=[N]2N(c1[n]3cccc1)c1ccccc1.ClCCl
• Title of publication: Novel Diphenoxo-Bridged Dinuclear Zinc Complexes: Generation of Phenoxyl-Radical Species and Nuclease Activity
• Authors of publication: Kaushik Ghosh; Pramod Kumar; Nidhi Tyagi; Udai P. Singh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7614 - 7616
• a: 8.909 ± 0.002 Å
• b: 13.799 ± 0.004 Å
• c: 15.958 ± 0.004 Å
• α: 93.424 ± 0.011°
• β: 104.325 ± 0.012°
• γ: 108.149 ± 0.011°
• Cell volume: 1786.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No