Information card for entry 7057160

Structure parameters

• Formula: C11 H8 Cl1.27 F0.32 I1.41 N Se
• Calculated formula: C11 H8 Cl1.27 F0.32 I1.41 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: 10.26 ± 0.002 Å
• b: 13.1618 ± 0.0004 Å
• c: 10.964 ± 0.009 Å
• α: 90°
• β: 115.19 ± 0.07°
• γ: 90°
• Cell volume: 1339.8 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0609
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No