Information card for entry 7112449

Structure parameters

• Formula: C36 H64 Cl28 Fe10 N12 O21
• Calculated formula: C36 H48 Cl28 Fe10 N12 O16
• 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: 12.6816 ± 0.0009 Å
• b: 26.2169 ± 0.0014 Å
• c: 15.5404 ± 0.001 Å
• α: 90°
• β: 109.243 ± 0.005°
• γ: 90°
• Cell volume: 4878.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108889
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No