Information card for entry 7128165

Structure parameters

• Formula: C219 H238.5 F48 Fe4 N37.5 O9 P8
• Calculated formula: C177 H148.5 F42 Fe4 N25.5 O4.5 P7
• 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: 21.2196 ± 0.0008 Å
• b: 21.2196 ± 0.0008 Å
• c: 30.9753 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12078.7 ± 0.8 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 7
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1642
• Residual factor for significantly intense reflections: 0.13
• Weighted residual factors for significantly intense reflections: 0.3195
• Weighted residual factors for all reflections included in the refinement: 0.3394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No