Information card for entry 4326612

Structure parameters

• Formula: C12 H10 Cl2 N2 Zn
• Calculated formula: C12 H10 Cl2 N2 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2ccccc2C=[N]1c1ccccc1
• Title of publication: Development of Bifunctional Stilbene Derivatives for Targeting and Modulating Metal-Amyloid-β Species
• Authors of publication: Joseph J. Braymer; Jung-Suk Choi; Alaina S. DeToma; Chen Wang; Kisoo Nam; Jeffrey W. Kampf; Ayyalusamy Ramamoorthy; Mi Hee Lim
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10724 - 10734
• a: 7.7276 ± 0.0005 Å
• b: 8.6307 ± 0.0006 Å
• c: 9.8023 ± 0.0007 Å
• α: 100.94 ± 0.001°
• β: 101.285 ± 0.001°
• γ: 97.395 ± 0.001°
• Cell volume: 620.06 ± 0.07 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 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: 0.034
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No