Information card for entry 2201501

Structure parameters

• Chemical name: Aquatriphenyl(trifluoroacetato)tin‒2,4,6-tris(2-pyridyl)-1,3,5-triazine (1/1)
• Formula: C38 H29 F3 N6 O3 Sn
• Calculated formula: C38 H29 F3 N6 O3 Sn
• SMILES: [Sn](OC(=O)C(F)(F)F)([OH2])(c1ccccc1)(c1ccccc1)c1ccccc1.n1c(nc(nc1c1ncccc1)c1ncccc1)c1ncccc1
• Title of publication: Aquatriphenyl(trifluoroacetato)tin‒2,4,6-tris(2-pyridyl)-1,3,5-triazine (1/1)
• Authors of publication: Chee, Chin Fei; Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: m661 - m662
• a: 10.567 ± 0.001 Å
• b: 11.053 ± 0.001 Å
• c: 15.438 ± 0.001 Å
• α: 105.559 ± 0.002°
• β: 97.496 ± 0.002°
• γ: 101.637 ± 0.002°
• Cell volume: 1668.5 ± 0.2 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes