Information card for entry 7057153

Structure parameters

• Formula: C11 H8 Cl F I N Se
• Calculated formula: C11 H8 Cl F I N Se
• Title of publication: Structural diversity in the products formed by the reactions of 2-arylselanyl pyridine derivatives and dihalogens
• Authors of publication: Montis, Riccardo; Arca, Massimiliano; Aragoni, M. Carla; Blake, Alexander J.; Castellano, Carlo; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito; Pintus, Anna; Lenardão, Eder J.; Perin, Gelson; O'Connor, Alice E.; Thurow, Samuel
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 10592
• a: 10.0222 ± 0.0008 Å
• b: 13.1554 ± 0.0011 Å
• c: 10.969 ± 0.0009 Å
• α: 90°
• β: 114.37 ± 0.01°
• γ: 90°
• Cell volume: 1317.4 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No