Information card for entry 7112451

Structure parameters

• Formula: C36 H68 Cl16 Fe6 N12 O23
• Calculated formula: C36 H66 Cl16 Fe6 N12 O23
• 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: 13.3201 ± 0.0006 Å
• b: 13.3201 ± 0.0006 Å
• c: 24.738 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3801.1 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108891
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No