Information card for entry 2236246

Structure parameters

• Chemical name: 2,3,5-Triphenyl-2<i>H</i>-tetrazol-3-ium iodide
• Formula: C19 H15 I N4
• Calculated formula: C19 H15 I N4
• SMILES: [I-].n1n([n+](nc1c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 2,3,5-Triphenyl-2<i>H</i>-tetrazol-3-ium iodide
• Authors of publication: Fun, Hoong-Kun; Chia, Tze Shyang; Mostafa, Gamal A. E.; Abunassif, Mohamed M.; Abdel-Aziz, Hatem A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2621
• a: 9.6541 ± 0.0004 Å
• b: 30.9983 ± 0.0014 Å
• c: 24.3469 ± 0.001 Å
• α: 90°
• β: 97.93 ± 0.001°
• γ: 90°
• Cell volume: 7216.4 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes