Information card for entry 2232131

Structure parameters

• Chemical name: Diaquaiodido(2,3,5,6-tetra-2-pyridylpyrazine- κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II) iodide monohydrate
• Formula: C24 H22 I2 Mn N6 O3
• Calculated formula: C24 H22 I2 Mn N6 O3
• SMILES: [Mn]12(I)([OH2])([OH2])[n]3c(c4[n]1cccc4)c(nc(c1ncccc1)c3c1[n]2cccc1)c1ncccc1.[I-].O
• Title of publication: Diaquaiodido(2,3,5,6-tetra-2-pyridylpyrazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II) iodide monohydrate
• Authors of publication: Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1333
• a: 7.977 ± 0.003 Å
• b: 13.88 ± 0.005 Å
• c: 12.134 ± 0.004 Å
• α: 90°
• β: 97.944 ± 0.007°
• γ: 90°
• Cell volume: 1330.6 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes