Information card for entry 7714371

Structure parameters

• Formula: C162 H93 Cl8 Fe4 N39 O56
• Calculated formula: C162 H93 Cl8 Fe4 N39 O56
• Title of publication: Spin-state versatility in FeII4L₆ supramolecular cages with a pyridyl-hydrazone ligand scaffold modulated by solvents and counter anions.
• Authors of publication: Li, Weiyang; Li, Xiaochun; Robeyns, Koen; Wolff, Mariusz; Kfoury, Joseph; Oláh, Julianna; Herchel, Radovan; Demeshko, Serhiy; Meyer, Franc; Garcia, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 1449 - 1459
• a: 16.795 ± 0.0017 Å
• b: 16.825 ± 0.0012 Å
• c: 33.0377 ± 0.0019 Å
• α: 75.558 ± 0.006°
• β: 78.046 ± 0.007°
• γ: 89.23 ± 0.007°
• Cell volume: 8837.4 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1683
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.2111
• Weighted residual factors for all reflections included in the refinement: 0.2372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.281
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No