Information card for entry 2231632

Structure parameters

• Chemical name: Diacetato-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-aqua(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) monohydrate
• Formula: C22 H22 Mn N6 O6
• Calculated formula: C22 H22 Mn N6 O6
• SMILES: [Mn]123([O]=C(O1)C)(OC(=O)C)([OH2])[n]1c(nc(nc1c1[n]3cccc1)c1ncccc1)c1[n]2cccc1.O
• Title of publication: Diacetato-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-aqua(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) monohydrate
• Authors of publication: Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1238 - m1239
• a: 10.341 ± 0.002 Å
• b: 24.977 ± 0.005 Å
• c: 9.8284 ± 0.0019 Å
• α: 90°
• β: 118.073 ± 0.004°
• γ: 90°
• Cell volume: 2239.9 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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 all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No