Information card for entry 2240235

Structure parameters

• Chemical name: Tetraaqua(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')iron(II) sulfate
• Formula: C12 H20 Fe N2 O8 S
• Calculated formula: C12 H20 Fe N2 O8 S
• SMILES: [Fe]1([n]2c(c3[n]1cc(cc3)C)ccc(c2)C)([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-]
• Title of publication: Crystal structure of tetraaqua(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')iron(II) sulfate
• Authors of publication: Belamri, Yamine; Setifi, Fatima; Francuski, Bojana M.; Novaković, Sladjana B.; Zouaoui, Setifi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: 544 - 546
• a: 9.579 ± 0.0007 Å
• b: 9.619 ± 0.0009 Å
• c: 18.55 ± 0.0012 Å
• α: 90°
• β: 101.527 ± 0.005°
• γ: 90°
• Cell volume: 1674.7 ± 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: 0.0958
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes