Information card for entry 7705601

Structure parameters

• Chemical name: 4-Methyl-7-(2-pyrazinyl)-2<i>H</i>-3<i>H</i>-7<i>H</i>[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazolium hexachlorostannate dihydrate
• Formula: C8 H13 Cl6 N7 O2 Sn
• Calculated formula: C8 H13 Cl6 N7 O2 Sn
• Title of publication: Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.
• Authors of publication: Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 14452 - 14462
• a: 12.137 ± 0.0019 Å
• b: 15.25 ± 0.0011 Å
• c: 10.851 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2008.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No