Information card for entry 2221871

Structure parameters

• Chemical name: Diaqua(trifluoroacetato-κ^2^<i>O</i>,<i>O</i>')[2,4,6-tri-2-pyridyl- 1,3,5-triazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^]manganese(II) trifluoroacetate
• Formula: C22 H16 F6 Mn N6 O6
• Calculated formula: C22 H16 F6 Mn N6 O6
• SMILES: [Mn]123([O]=C(O1)C(F)(F)F)([OH2])([OH2])[n]1ccccc1c1[n]2c(nc(n1)c1ncccc1)c1[n]3cccc1.FC(F)(F)C(=O)[O-]
• Title of publication: Diaqua(trifluoroacetato-κ^2^<i>O</i>,<i>O</i>')[2,4,6-tri-2-pyridyl-1,3,5-triazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^]manganese(II) trifluoroacetate
• Authors of publication: Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m591 - m592
• a: 31.1179 ± 0.0004 Å
• b: 10.5881 ± 0.0001 Å
• c: 32.9673 ± 0.0004 Å
• α: 90°
• β: 117.027 ± 0.001°
• γ: 90°
• Cell volume: 9675.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes