Information card for entry 4344456

Structure parameters

• Formula: C18 H36 Cl4 F6 Fe N4 O7 S2
• Calculated formula: C18 H36 Cl4 F6 Fe N4 O7 S2
• Title of publication: Upside Down! Crystallographic and Spectroscopic Characterization of an [Fe(IV)(Osyn)(TMC)](2+) Complex.
• Authors of publication: Prakash, Jai; Rohde, Gregory T.; Meier, Katlyn K.; Münck, Eckard; Que, Jr, Lawrence
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11055 - 11057
• a: 15.896 ± 0.005 Å
• b: 12.544 ± 0.004 Å
• c: 16.658 ± 0.008 Å
• α: 90°
• β: 108.575 ± 0.004°
• γ: 90°
• Cell volume: 3149 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1043
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No