Information card for entry 7062046

Structure parameters

• Formula: C14 H16 Cl N O2 Se
• Calculated formula: C14 H16 Cl N O2 Se
• Title of publication: An unprecedented non-classical polyinterhalogen anion made of [I2Cl]− and I2 at the 2-(p-tolyl)selenopheno[2,3-b]pyridinium cation template
• Authors of publication: Aragoni, M. Carla; Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Bartz, Ricardo H.; Lenardão, Eder J.; Perin, Gelson; Schumacher, Ricardo F.; Coles, Simon J.; Orton, James B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 45
• Pages of publication: 21921 - 21929
• a: 7.304 ± 0.0002 Å
• b: 9.1476 ± 0.0002 Å
• c: 11.7026 ± 0.0002 Å
• α: 70.419 ± 0.002°
• β: 80.43 ± 0.002°
• γ: 88.427 ± 0.002°
• Cell volume: 726.09 ± 0.03 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No