Information card for entry 2003621

Structure parameters

• Formula: C19 H15 Cl3 N12 O8
• Calculated formula: C19 H15 Cl3 N12 O10
• Title of publication: The Relative Basicities of Tris(pyrazol-1-yl)-1,3,5-triazine (TPT), Water and the Picrate Anion in the Solid State
• Authors of publication: Llamas-Saiz, A. L.; Foces-Foces, C.; Echevarría, A.; Elguero, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1401 - 1404
• a: 5.9268 ± 0.0002 Å
• b: 19.6263 ± 0.0015 Å
• c: 22.9946 ± 0.0024 Å
• α: 90°
• β: 93.853 ± 0.006°
• γ: 90°
• Cell volume: 2668.7 ± 0.4 ų
• Cell temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.071
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No