Information card for entry 7112453

Structure parameters

• Formula: C48 H68 Cl25 Fe9 N6 O20
• Calculated formula: C48 H64 Cl25 Fe9 N6 O20
• Title of publication: Catalytic "triangles": binding of iron in task-specific ionic liquids
• Authors of publication: Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 19
• Pages of publication: 1915 - 1917
• a: 24.8363 ± 0.0012 Å
• b: 13.7847 ± 0.0007 Å
• c: 27.4404 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9394.5 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1064
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1977
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108893
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No