Information card for entry 2227623

Structure parameters

• Chemical name: Di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'- bis[diaqua(1<i>H</i>-imidazo-[4,5-<i>f</i>][1,10]phenanthroline)manganese(II)] dihydrate
• Formula: C26 H28 Mn2 N8 O14 S2
• Calculated formula: C26 H28 Mn2 N8 O14 S2
• SMILES: c1ccc2c3c(c4c5[n]([Mn]6([n]1c25)(OS(=O)(=O)O[Mn]1([n]2cccc5c7c(c8ccc[n]1c8c25)nc[nH]7)(OS(=O)(=O)O6)([OH2])[OH2])([OH2])[OH2])ccc4)nc[nH]3.O.O
• Title of publication: Di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'-bis[diaqua(1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline)manganese(II)] dihydrate
• Authors of publication: Yang, Ming-Xing; Lin, Shen; Chen, Li-Juan; Chen, Xiao-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1115 - m1116
• a: 10.467 ± 0.007 Å
• b: 9.171 ± 0.006 Å
• c: 17.025 ± 0.011 Å
• α: 90°
• β: 98.758 ± 0.012°
• γ: 90°
• Cell volume: 1615.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0328
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes