Information card for entry 7128167

Structure parameters

• Formula: C90 H54 F24 Fe2 N12 P4
• Calculated formula: C90 H54 Fe2 N12
• Title of publication: The kinetics and mechanism of interconversion within a system of [Fe₂L₃]⁴⁺ helicates and [Fe₄L₆]⁸⁺ cages.
• Authors of publication: Siddique, Rashid G.; Arachchige, Kasun S. A.; Al-Fayaad, Hydar A; Brock, Aidan J.; Micallef, Aaron S.; Luis, Ena T.; Thoburn, John D.; McMurtrie, John C.; Clegg, Jack K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 40
• Pages of publication: 4918 - 4921
• a: 13.4333 ± 0.0013 Å
• b: 13.4333 ± 0.0013 Å
• c: 27.74 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4335.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 182
• Hermann-Mauguin space group symbol: P 63 2 2
• Hall space group symbol: P 6c 2c
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No