Information card for entry 2232248

Structure parameters

• Chemical name: Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)iron(II) sulfate‒ 1<i>H</i>-imidazole (1/2)
• Formula: C24 H32 Fe N16 O4 S
• Calculated formula: C24 H32 Fe N16 O4 S
• SMILES: c1c[nH]c[n]1[Fe]([n]1cc[nH]c1)([n]1cc[nH]c1)([n]1cc[nH]c1)([n]1cc[nH]c1)[n]1cc[nH]c1.c1c[nH]cn1.c1c[nH]cn1.[O-]S(=O)(=O)[O-]
• Title of publication: Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)iron(II) sulfate‒1<i>H</i>-imidazole (1/2)
• Authors of publication: Nistor, Alexandra; Shova, Sergiu; Cazacu, Maria; Lazar, Alina
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1600 - m1601
• a: 15.4091 ± 0.0008 Å
• b: 15.4436 ± 0.0007 Å
• c: 15.9883 ± 0.0011 Å
• α: 69.813 ± 0.005°
• β: 69.949 ± 0.005°
• γ: 73.214 ± 0.004°
• Cell volume: 3291.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes