Information card for entry 4519189

Structure parameters

• Formula: C16 H28 Fe2 N2 O11
• Calculated formula: C16 H28 Fe2 N2 O11
• Title of publication: Fe4(OAc)10[EMIM]2: Novel Iron-Based Acetate EMIM Ionic Compound
• Authors of publication: Severa, Godwin; Bruffey, Edward; Nguyen, Phuong Q. H.; Gigante, Angelina; Leick, Noemi; Kelly, Colleen; Finkelstein, Gregory J.; Hagemann, Hans; Gennett, Thomas; Rocheleau, Richard E.; Dera, Przemyslaw
• Journal of publication: ACS Omega
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 47
• Pages of publication: 31907 - 31918
• a: 9.0333 ± 0.0013 Å
• b: 10.5505 ± 0.0015 Å
• c: 12.4384 ± 0.0018 Å
• α: 70.784 ± 0.005°
• β: 88.387 ± 0.006°
• γ: 81.848 ± 0.006°
• Cell volume: 1107.9 ± 0.3 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1799
• Residual factor for significantly intense reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.1941
• Weighted residual factors for all reflections included in the refinement: 0.2303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No