Information card for entry 2240497

Structure parameters

• Chemical name: Tetraaqua[2-(pyridin-2-yl)-1<i>H</i>-imidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]iron(II) sulfate
• Formula: C8 H15 Fe N3 O8 S
• Calculated formula: C8 H15 Fe N3 O8 S
• SMILES: [Fe]1([OH2])([OH2])([OH2])([OH2])[n]2ccccc2c2[n]1cc[nH]2.S(=O)(=O)([O-])[O-]
• Title of publication: Crystal structure of tetraaqua[2-(pyridin-2-yl)-1<i>H</i>-imidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]iron(II) sulfate
• Authors of publication: Setifi, Zouaoui; Setifi, Fatima; Francuski, Bojana M.; Novaković, Sladjana B.; Merazig, Hocine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: 346 - 349
• a: 12.476 ± 0.005 Å
• b: 11.741 ± 0.005 Å
• c: 20.313 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2975 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes