Information card for entry 2201259

Structure parameters

• Formula: C26 H28 B Cl4 F4 Fe N10 S4
• Calculated formula: C26 H28 B Cl4 F4 Fe N10 S4
• SMILES: [Fe](Cl)(Cl)(Cl)[Cl-].[B](F)(F)(F)[F-].S(c1[nH+]cc[n]1C)c1nc(Sc2nccn2C)ccc1.S(c1nccn1C)c1nc(Sc2n(cc[nH+]2)C)ccc1
• Title of publication: Bis[2-(1-methyl-1<i>H</i>-imidazol-2-yl-3-iosulfanyl)-6-(1-methyl-1<i>H</i>-imidazol-2-ylsulfanyl)pyridine] tetrachloroferrate tetrafluoroborate
• Authors of publication: Lewis, Gareth R.; Hubberstey, Peter; Sampson, Claire L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m331 - m333
• a: 9.0531 ± 0.001 Å
• b: 13.2213 ± 0.0014 Å
• c: 16.0249 ± 0.0018 Å
• α: 82.51 ± 0.02°
• β: 82.04 ± 0.03°
• γ: 82.82 ± 0.02°
• Cell volume: 1872.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1205
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes