Information card for entry 7033351

Structure parameters

• Formula: C13 H12 Br2 N2 Zn
• Calculated formula: C13 H12 Br2 N2 Zn
• SMILES: Br[Zn]1(Br)[n]2c(cccc2)C=[N]1c1ccccc1C
• 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: 7.51887 ± 0.00019 Å
• b: 7.57304 ± 0.00018 Å
• c: 14.0522 ± 0.0004 Å
• α: 85.182 ± 0.002°
• β: 89.651 ± 0.002°
• γ: 63.742 ± 0.003°
• Cell volume: 714.61 ± 0.04 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No