Information card for entry 7710470

Structure parameters

• Formula: C62 H53 B2 F14 Fe N20 O
• Calculated formula: C62 H53 B2 F14 Fe N20 O
• Title of publication: Fluorinated Click-Derived Tripodal Ligands Drive Spin Crossover in both Iron(II) and Cobalt(II) Complexes
• Authors of publication: Nößler, Maite; Hunger, David; Neuman, Nicolás Ignacio; Reimann, Marc; Reichert, Felix; Winkler, Mario; Klein, Johannes; Bens, Tobias; Suntrup, Lisa; Demeshko, Serhiy; Stubbe, Jessica; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.8403 ± 0.0004 Å
• b: 20.3972 ± 0.001 Å
• c: 19.7649 ± 0.0009 Å
• α: 90°
• β: 97.184 ± 0.002°
• γ: 90°
• Cell volume: 3136 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No