Information card for entry 7033354

Structure parameters

• Formula: C13 H14 N4 O8 Zn
• Calculated formula: C13 H14 N4 O8 Zn
• SMILES: [Zn]12([O](c3c([N]2=Cc2[n]1cccc2)cccc3)C)(ON(=O)=O)(ON(=O)=O)[OH2]
• Title of publication: Insight into inhibition of the human amyloid beta protein precursor (APP: PDB ID ) using (E)-N-(pyridin-2-ylmethylene)arylamine (LR) models: structure elucidation of a family of ZnX2-LR complexes.
• Authors of publication: Basu Baul, Tushar S.; Kundu, Sajal; Singh, Palwinder; Shaveta, ?; Guedes da Silva, M Fátima C
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 5
• Pages of publication: 2359 - 2369
• a: 7.98966 ± 0.00012 Å
• b: 13.7811 ± 0.00019 Å
• c: 14.55242 ± 0.00018 Å
• α: 90°
• β: 91.5686 ± 0.0012°
• γ: 90°
• Cell volume: 1601.71 ± 0.04 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No