Information card for entry 7241403

Structure parameters

• Formula: C18 H30 F12 Fe N6 P2 S6
• Calculated formula: C18 H30 F12 Fe N6 P2 S6
• Title of publication: Syntheses, spectroscopic, redox, and structural properties of homoleptic Iron(III/II) dithione complexes
• Authors of publication: Colston, Kyle J.; Dille, Sara A.; Mogesa, Benjamin; Brant, Jacilynn; Nemykin, Victor N.; Zeller, Matthias; Basu, Partha
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 63
• Pages of publication: 38294 - 38303
• a: 21.8709 ± 0.0008 Å
• b: 6.3608 ± 0.0003 Å
• c: 25.3626 ± 0.0009 Å
• α: 90°
• β: 113.674 ± 0.0019°
• γ: 90°
• Cell volume: 3231.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No