Information card for entry 7718572

Structure parameters

• Common name: 2-Fe.THF
• Chemical name: 2-Fe.THF
• Formula: C46 H68 Fe O3.5
• Calculated formula: C46 H68 Fe O3.5
• Title of publication: Monomeric M(II) (M = Fe, Co, Ni) complexes supported by bulky aryloxide ligands tethered to an arene functionality; synthesis, electrochemistry and study of the M(II)-arene interaction.
• Authors of publication: Vagiakos, Ioannis; Tsoureas, Nikolaos; Huang, Tianyin; Christodoulou, Stella; Maron, Laurent; Pickl, Thomas; Mink, János; Halter, Dominik P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 8683 - 8694
• a: 11.758 ± 0.0011 Å
• b: 13.5926 ± 0.0011 Å
• c: 14.6117 ± 0.0009 Å
• α: 108.448 ± 0.003°
• β: 106.081 ± 0.002°
• γ: 98.129 ± 0.003°
• Cell volume: 2060.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No