Information card for entry 7062047

Structure parameters

• Formula: C14 H12 Cl I2.33 N Se
• Calculated formula: C14 H12 Cl I2.33333 N 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: 11.7631 ± 0.0001 Å
• b: 14.0582 ± 0.0002 Å
• c: 16.4528 ± 0.0002 Å
• α: 94.046 ± 0.001°
• β: 95.473 ± 0.001°
• γ: 111.156 ± 0.001°
• Cell volume: 2509.62 ± 0.06 ų
• Cell temperature: 100 ± 2 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: 0.0322
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No