Information card for entry 2228103

Structure parameters

• Chemical name: Di-μ-sulfato-bis[diaqua(1<i>H</i>-imidazo[4,5- <i>f</i>][1,10]phenanthroline)iron(II)] dihydrate
• Formula: C26 H28 Fe2 N8 O14 S2
• Calculated formula: C26 H28 Fe2 N8 O14 S2
• SMILES: [n]12c3c4[n](cccc4c4c(c3ccc2)nc[nH]4)[Fe]21([OH2])(OS(=O)(=O)O[Fe]1([n]3cccc4c5c(c6ccc[n]1c6c34)[nH]cn5)(OS(=O)(=O)O2)([OH2])[OH2])[OH2].O.O
• Title of publication: Di-μ-sulfato-bis[diaqua(1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline)iron(II)] dihydrate
• Authors of publication: Yang, Ming-Xing; Lin, Shen; Shen, Hui-Ying; Chen, Li-Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1129 - m1130
• a: 10.2879 ± 0.0009 Å
• b: 9.0738 ± 0.0008 Å
• c: 17.0089 ± 0.0016 Å
• α: 90°
• β: 98.892 ± 0.005°
• γ: 90°
• Cell volume: 1568.7 ± 0.2 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: 0.0526
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes