Information card for entry 7038217

Structure parameters

• Formula: C20 H32 B2 F8 Fe N8 Se4
• Calculated formula: C20 H32 B2 F8 Fe N8 Se4
• Title of publication: Synthesis, characterization, DFT calculations, and electrochemical comparison of novel iron(ii) complexes with thione and selone ligands.
• Authors of publication: Stadelman, Bradley S.; Kimani, Martin M.; Bayse, Craig A.; McMillen, Colin D.; Brumaghim, Julia L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4697 - 4711
• a: 12.051 ± 0.002 Å
• b: 21.709 ± 0.004 Å
• c: 13.199 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3453.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No