Information card for entry 4341777

Structure parameters

• Formula: C22.5 H18 F12 N O2
• Calculated formula: C22.5 H21 F12 N O2
• Title of publication: Synthesis, Characterization, and Reactivity of Iron(III) Complexes Supported by a Trianionic ONO(3-) Pincer Ligand.
• Authors of publication: Pascualini, Matias E.; Di Russo, Natali V.; Quintero, Pedro A.; Thuijs, Annaliese E.; Pinkowicz, Dawid; Abboud, Khalil A.; Dunbar, Kim R.; Christou, George; Meisel, Mark W.; Veige, Adam S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141124145829004
• a: 11.3214 ± 0.0005 Å
• b: 18.4917 ± 0.0008 Å
• c: 11.9749 ± 0.0005 Å
• α: 90°
• β: 111.883 ± 0.001°
• γ: 90°
• Cell volume: 2326.33 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No