Information card for entry 4123650

Structure parameters

• Common name: Fe2(DSBDC)
• Formula: C7 H8 Fe N O3.25 S
• Calculated formula: C7 H8 Fe N O3.25167 S
• Title of publication: Million-Fold Electrical Conductivity Enhancement in Fe2(DEBDC) versus Mn2(DEBDC) (E = S, O).
• Authors of publication: Sun, Lei; Hendon, Christopher H.; Minier, Mikael A.; Walsh, Aron; Dincă, Mircea
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 19
• Pages of publication: 6164 - 6167
• a: 27.551 ± 0.004 Å
• b: 27.551 ± 0.004 Å
• c: 7.1879 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4725.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No