Information card for entry 7033355

Structure parameters

• Formula: C26 H28 N6 O8 Zn
• Calculated formula: C26 H28 N6 O8 Zn
• SMILES: c12cccc[n]2[Zn]2([N](=C1)c1ccc(cc1)C)([OH2])([n]1c(cccc1)C=[N]2c1ccc(cc1)C)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-]
• 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: 19.728 ± 0.0003 Å
• b: 9.41866 ± 0.00012 Å
• c: 14.5758 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2708.35 ± 0.07 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No