Information card for entry 7128164

Structure parameters

• Formula: C189 H129 F48 Fe4 N27 O3 P8
• Calculated formula: C181.5 H111.5 F36 Fe4 N24.5 O0.5 P6
• 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: 16.904 ± 0.003 Å
• b: 22.714 ± 0.005 Å
• c: 29.166 ± 0.006 Å
• α: 78.57 ± 0.03°
• β: 73.36 ± 0.03°
• γ: 69.54 ± 0.03°
• Cell volume: 9993 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1963
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No