Information card for entry 2023263

Structure parameters

• Chemical name: 2,3,5-Triphenyltetrazol-3-ium chloride hemipentahydrate
• Formula: C19 H20 Cl N4 O2.5
• Calculated formula: C19 H20 Cl N4 O2.5
• Title of publication: Structure of 2,3,5-triphenyltetrazol-3-ium chloride hemipentahydrate
• Authors of publication: Uppu, Rao M.; Chikkula, Krishnaveni; Saneei, Soheil; Babu, Sainath; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 10
• Pages of publication: 1097 - 1100
• a: 9.5599 ± 0.0004 Å
• b: 11.8056 ± 0.0005 Å
• c: 17.5322 ± 0.0007 Å
• α: 94.808 ± 0.002°
• β: 104.562 ± 0.002°
• γ: 95.408 ± 0.002°
• Cell volume: 1894.7 ± 0.14 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No