Information card for entry 7033352

Structure parameters

• Formula: C13 H12 Br2 N2 O Zn
• Calculated formula: C13 H12 Br2 N2 O Zn
• SMILES: Br[Zn]12(Br)[O](c3c([N]2=Cc2[n]1cccc2)cccc3)C
• 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: 8.1266 ± 0.0007 Å
• b: 24.5537 ± 0.0015 Å
• c: 7.9491 ± 0.0006 Å
• α: 90°
• β: 115.788 ± 0.01°
• γ: 90°
• Cell volume: 1428.2 ± 0.2 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 6
• 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: 0.0816
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No